기본 정보
- 표준 SMILES
C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[C@H](c2ccncc2N)C1- InChIKey
IJNVTEQPYTYYLD-XQQFMLRXSA-N- 분자식
- C17H27N3O2
- 평균 분자량
- 305.4 g/mol
이름 및 식별자
- 우선 이름
- tert-Butyl [(1S,3R,5S)-3-(3-aminopyridin-4-yl)-5-methylcyclohexyl]carbamate
- IUPAC
- tert-butyl N-[(1S,3R,5S)-3-(3-amino-4-pyridinyl)-5-methylcyclohexyl]carbamate
이름 및 동의어
1187056-55-8tert-Butyl [(1S,3R,5S)-3-(3-aminopyridin-4-yl)-5-methylcyclohexyl]carbamatetert-butyl N-[(1S,3R,5S)-3-(3-aminopyridin-4-yl)-5-methylcyclohexyl]carbamatetert-butyl ((1S,3R,5S)-3-(3-aminopyridin-4-yl)-5-methylcyclohexyl)carbamateSCHEMBL4119655IJNVTEQPYTYYLD-XQQFMLRXSA-Nrel-tert-Butyl ((1R,3S,5R)-3-(3-aminopyridin-4-yl)-5-methylcyclohexyl)carbamate1210418-12-4CS-M3654MFCD30738022AKOS037650653CS-15129
이름 더 보기
C13082tert-butyl (1S,3R,5S)-3-(3-aminopyridin-4-yl)-5-methylcyclohexylcarbamatetert-butyl(1S,3R,5S)-3-(3-aminopyridin-4-yl)-5-methylcyclohexylcarbamate(1S, 3R, 5S)-[3-(3-Amino-pyridin-4-yl)-5-methyl-cyclohexyl]-carbamicacid tertbutylestertert-butyl ((1 S,3R,5S)-3-(3-aminopyridin-4-yl)-5-methylcyclohexyl)carbamatetert-butyl N-[(1S,3R,5S)-3-(3-amino-4-pyridyl)-5-methyl-cyclohexyl]carbamatetert-Butyl[(1S,3R,5S)-3-(3-aminopyridin-4-yl)-5-methylcyclohexyl]carbamate
데이터베이스 식별자
- PubChem CID
- 68919823
물성
구조 계산 물성
- XLogP
- 2.8
- 극성 표면적
- 77.2 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 381
관련 반응
5건
화합물 노트
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