3-amino-N-benzylcyclohexane-1-carboxamide;hydrochloride

C14H21ClN2O — CID 119669914

IUPAC3-amino-N-benzylcyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1CCCC(C(=O)NCc2ccccc2)C1
InChIInChI=1S/C14H20N2O.ClH/c15-13-8-4-7-12(9-13)14(17)16-10-11-5-2-1-3-6-11;/h1-3,5-6,12-13H,4,7-10,15H2,(H,16,17);1H
InChIKeyDSWOGIHIULQYMP-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.24
Rot. Bonds3

About 3-amino-N-benzylcyclohexane-1-carboxamide;hydrochloride

3-amino-N-benzylcyclohexane-1-carboxamide;hydrochloride (PubChem CID 119669914) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 3-amino-N-benzylcyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-benzylcyclohexane-1-carboxamide;hydrochloride
PubChem CID119669914
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name3-amino-N-benzylcyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1CCCC(C(=O)NCc2ccccc2)C1
InChIInChI=1S/C14H20N2O.ClH/c15-13-8-4-7-12(9-13)14(17)16-10-11-5-2-1-3-6-11;/h1-3,5-6,12-13H,4,7-10,15H2,(H,16,17);1H
InChIKeyDSWOGIHIULQYMP-UHFFFAOYSA-N
XLogP2.24
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(4-phenylmethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119712143
cis-(1R,3S)-3-amino-N-[(3-phenylphenyl)methyl]cyclohexane-1-carboxamide
CID 74246620
3-amino-N-[(3-phenoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119732512
3-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119750964
N-benzylcyclobutanecarboxamide
CID 730128
3-amino-N-[(4-bromophenyl)methyl]cyclohexane-1-carboxamide
CID 63041803
3-amino-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide
CID 55146737
3-amino-N-[(2-ethylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119798267
3-amino-N-[(4-nitrophenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119708431
N-benzylcyclopentanecarboxamide
CID 835634
3-amino-N-[2-[benzyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119862239
3-amino-N-[[4-(difluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119689646

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-benzylcyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-benzylcyclohexane-1-carboxamide;hydrochloride (CID 119669914) is 3-amino-N-benzylcyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-benzylcyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-benzylcyclohexane-1-carboxamide;hydrochloride is Cl.NC1CCCC(C(=O)NCc2ccccc2)C1.
What is the InChIKey of 3-amino-N-benzylcyclohexane-1-carboxamide;hydrochloride?
The InChIKey is DSWOGIHIULQYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O.ClH/c15-13-8-4-7-12(9-13)14(17)16-10-11-5-2-1-3-6-11;/h1-3,5-6,12-13H,4,7-10,15H2,(H,16,17);1H.
What are the key properties of 3-amino-N-benzylcyclohexane-1-carboxamide;hydrochloride?
3-amino-N-benzylcyclohexane-1-carboxamide;hydrochloride has a molecular weight of 268.79 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-benzylcyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119669914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).