Guanidine, 1-adamantyl-2-cyano-3-(3-pyridyl)-

HCID 64466

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Basic information

CAS: 67026-37-3
Standard SMILES: N#CNC(=NC12CC3CC(CC(C3)C1)C2)Nc1cccnc1
InChIKey: DEVSHLQEUXZEJI-UHFFFAOYSA-N
Molecular formula: C17H21N5
Average molar mass: 295.4 g/mol
Monoisotopic mass: 295.17969569

Names & identifiers

Preferred name: Guanidine, 1-adamantyl-2-cyano-3-(3-pyridyl)-
IUPAC: 2-(1-adamantyl)-1-cyano-3-pyridin-3-ylguanidine

Names & synonyms

BRN 0432091Guanidine, 1-adamantyl-2-cyano-3-(3-pyridyl)-67026-37-31-Adamantyl-2-cyano-3-(3-pyridyl)guanidineDTXSID00217252Guanidine, N-cyano-N'-3-pyridinyl-N''-tricyclo(3.3.1.1(sup 3,7))dec-1-yl-RefChem:346873DTXCID00139743CHEMBL86825CHEMBL3278071N''-(Adamantan-1-yl)-N-cyano-N'-(pyridin-3-yl)guanidine

Database identifiers

CAS: 67026-37-3
PubChem CID: 64466
DTXSID: DTXSID00217252
ChEMBL: CHEMBL3278071、CHEMBL86825

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 73.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 22
Formal charge: 0
Complexity: 461

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