Guanidine, 2-hydroxy-1-tert-pentyl-3-(3-pyridyl)-

HCID 48879

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Basic information

CAS: 67026-73-7
Standard SMILES: CCC(C)(C)N=C(NO)Nc1cccnc1
InChIKey: HOAATCVKKYCUEQ-UHFFFAOYSA-N
Molecular formula: C11H18N4O
Average molar mass: 222.29 g/mol
Monoisotopic mass: 222.14806121

Names & identifiers

Preferred name: Guanidine, 2-hydroxy-1-tert-pentyl-3-(3-pyridyl)-
IUPAC: 1-hydroxy-2-(2-methylbutan-2-yl)-3-pyridin-3-ylguanidine
English name: 2-Hydroxy-1-tert-pentyl-3-(3-pyridyl)guanidine
Molecular formula: C11H18N4O
Molecular weight: 222.29

Names & synonyms

BRN 039748167026-73-7GUANIDINE, 2-HYDROXY-1-tert-PENTYL-3-(3-PYRIDYL)-2-Hydroxy-1-tert-pentyl-3-(3-pyridyl)guanidineDTXSID00217272RefChem:346977DTXCID00139763CHEMBL3278376N-Hydroxy-N''-(2-methylbutan-2-yl)-N'-(pyridin-3-yl)guanidineGuanidine, N-(1,1-dimethylpropyl)-N'-hydroxy-N''-3-pyridinyl-

Database identifiers

CAS: 67026-73-7
PubChem CID: 48879
DTXSID: DTXSID00217272
ChEMBL: CHEMBL3278376
Nikkaji: J78.496F

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 69.5 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 16
Formal charge: 0
Complexity: 240

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