N-[(1-aminocyclohexyl)methyl]bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride

C14H25ClN2O — CID 119404189

IUPACN-[(1-aminocyclohexyl)methyl]bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
SMILESCl.NC1(CNC(=O)C2C3CCCC32)CCCCC1
InChIInChI=1S/C14H24N2O.ClH/c15-14(7-2-1-3-8-14)9-16-13(17)12-10-5-4-6-11(10)12;/h10-12H,1-9,15H2,(H,16,17);1H
InChIKeyGNRBZQSXUHVKCM-UHFFFAOYSA-N
MW272.82 g/mol
LogP2.23
Rot. Bonds3

About N-[(1-aminocyclohexyl)methyl]bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride

N-[(1-aminocyclohexyl)methyl]bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride (PubChem CID 119404189) has the molecular formula C14H25ClN2O and a molecular weight of 272.82 g/mol. Its IUPAC name is N-[(1-aminocyclohexyl)methyl]bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(1-aminocyclohexyl)methyl]bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
PubChem CID119404189
Molecular FormulaC14H25ClN2O
Molecular Weight272.82 g/mol
Exact Mass272.17
IUPAC NameN-[(1-aminocyclohexyl)methyl]bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
SMILESCl.NC1(CNC(=O)C2C3CCCC32)CCCCC1
InChIInChI=1S/C14H24N2O.ClH/c15-14(7-2-1-3-8-14)9-16-13(17)12-10-5-4-6-11(10)12;/h10-12H,1-9,15H2,(H,16,17);1H
InChIKeyGNRBZQSXUHVKCM-UHFFFAOYSA-N
XLogP2.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.82
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-aminocyclohexyl)methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide;hydrochloride
CID 119404440
N-[(1-aminocyclopentyl)methyl]cyclobutanecarboxamide
CID 164661339
N-[(1-aminocyclohexyl)methyl]cyclooctanecarboxamide
CID 119404631
N-[(1-aminocyclohexyl)methyl]cycloheptanecarboxamide
CID 119404597
N-[[1-(bromomethyl)cyclopropyl]methyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 115456221
(1-aminocyclohexyl)methylurea
CID 61298669
N-[(1-aminocyclobutyl)methyl]-1,3-dithiolane-2-carboxamide;hydrochloride
CID 130763031
N-[(1-aminocyclobutyl)methyl]-2,2-dichlorocyclopropane-1-carboxamide;hydrochloride
CID 130628525
N-[(1-aminocyclohexyl)methyl]-1,4-dioxane-2-carboxamide;hydrochloride
CID 119259789
(1R,6S)-N-[[1-(2-methoxyethyl)cyclohexyl]methyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 99786429
N-(2-amino-2-ethylbutyl)bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
CID 119640656
N-ethylbicyclo[3.1.0]hexane-6-carboxamide
CID 79600194

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclohexyl)methyl]bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride?
The IUPAC name of N-[(1-aminocyclohexyl)methyl]bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride (CID 119404189) is N-[(1-aminocyclohexyl)methyl]bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride.
What is the SMILES notation for N-[(1-aminocyclohexyl)methyl]bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride?
The canonical SMILES for N-[(1-aminocyclohexyl)methyl]bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride is Cl.NC1(CNC(=O)C2C3CCCC32)CCCCC1.
What is the InChIKey of N-[(1-aminocyclohexyl)methyl]bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride?
The InChIKey is GNRBZQSXUHVKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O.ClH/c15-14(7-2-1-3-8-14)9-16-13(17)12-10-5-4-6-11(10)12;/h10-12H,1-9,15H2,(H,16,17);1H.
What are the key properties of N-[(1-aminocyclohexyl)methyl]bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride?
N-[(1-aminocyclohexyl)methyl]bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride has a molecular weight of 272.82 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclohexyl)methyl]bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride is sourced from PubChem (CID 119404189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).