N-(3-amino-4-methylpentyl)-N-methyl-4-phenylcyclohexane-1-carboxamide;hydrochloride

C20H33ClN2O — CID 119659328

IUPACN-(3-amino-4-methylpentyl)-N-methyl-4-phenylcyclohexane-1-carboxamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)C1CCC(c2ccccc2)CC1.Cl
InChIInChI=1S/C20H32N2O.ClH/c1-15(2)19(21)13-14-22(3)20(23)18-11-9-17(10-12-18)16-7-5-4-6-8-16;/h4-8,15,17-19H,9-14,21H2,1-3H3;1H
InChIKeyZLPUVQJOGZGOJZ-UHFFFAOYSA-N
MW352.95 g/mol
LogP4.21
Rot. Bonds6

About N-(3-amino-4-methylpentyl)-N-methyl-4-phenylcyclohexane-1-carboxamide;hydrochloride

N-(3-amino-4-methylpentyl)-N-methyl-4-phenylcyclohexane-1-carboxamide;hydrochloride (PubChem CID 119659328) has the molecular formula C20H33ClN2O and a molecular weight of 352.95 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N-methyl-4-phenylcyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N-methyl-4-phenylcyclohexane-1-carboxamide;hydrochloride
PubChem CID119659328
Molecular FormulaC20H33ClN2O
Molecular Weight352.95 g/mol
Exact Mass352.23
IUPAC NameN-(3-amino-4-methylpentyl)-N-methyl-4-phenylcyclohexane-1-carboxamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)C1CCC(c2ccccc2)CC1.Cl
InChIInChI=1S/C20H32N2O.ClH/c1-15(2)19(21)13-14-22(3)20(23)18-11-9-17(10-12-18)16-7-5-4-6-8-16;/h4-8,15,17-19H,9-14,21H2,1-3H3;1H
InChIKeyZLPUVQJOGZGOJZ-UHFFFAOYSA-N
XLogP4.21
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.95
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-4-methylpentyl)-1-benzoyl-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119659992
N-(3-amino-4-methylpentyl)-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 81487197
N-(3-amino-4-methylpentyl)-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide
CID 81485803
N-(3-amino-4-methylpentyl)-N-methyl-2-naphthalen-1-ylcyclopropane-1-carboxamide;hydrochloride
CID 119661456
N-(3-amino-4-methylpentyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
CID 119658274
N-(3-amino-4-methylpentyl)-N-methyl-3-phenylbutanamide;hydrochloride
CID 119658945
N-(3-amino-4-methylpentyl)-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide;hydrochloride
CID 119995087
N-(3-amino-4-methylpentyl)-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 119658992
cis-(1R,2S)-N-[(3R)-3-amino-4-methylpentyl]-N,2-dimethylcyclopropane-1-carboxamide
CID 99849762
N-(3-amino-4-methylpentyl)-N-methyl-2-phenoxyacetamide
CID 81485024
N-(3-amino-4-methylpentyl)-N-methyl-2-methylsulfanylbenzamide;hydrochloride
CID 119658400
N-(3-amino-4-methylpentyl)-2-bromo-N-methylbenzamide;hydrochloride
CID 119658345

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-4-phenylcyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-4-phenylcyclohexane-1-carboxamide;hydrochloride (CID 119659328) is N-(3-amino-4-methylpentyl)-N-methyl-4-phenylcyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N-methyl-4-phenylcyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N-methyl-4-phenylcyclohexane-1-carboxamide;hydrochloride is CC(C)C(N)CCN(C)C(=O)C1CCC(c2ccccc2)CC1.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N-methyl-4-phenylcyclohexane-1-carboxamide;hydrochloride?
The InChIKey is ZLPUVQJOGZGOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O.ClH/c1-15(2)19(21)13-14-22(3)20(23)18-11-9-17(10-12-18)16-7-5-4-6-8-16;/h4-8,15,17-19H,9-14,21H2,1-3H3;1H.
What are the key properties of N-(3-amino-4-methylpentyl)-N-methyl-4-phenylcyclohexane-1-carboxamide;hydrochloride?
N-(3-amino-4-methylpentyl)-N-methyl-4-phenylcyclohexane-1-carboxamide;hydrochloride has a molecular weight of 352.95 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-N-methyl-4-phenylcyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119659328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).