N-(3-amino-4-methylpentyl)-N-methyl-2-naphthalen-1-ylcyclopropane-1-carboxamide;hydrochloride

C21H29ClN2O — CID 119661456

IUPACN-(3-amino-4-methylpentyl)-N-methyl-2-naphthalen-1-ylcyclopropane-1-carboxamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)C1CC1c1cccc2ccccc12.Cl
InChIInChI=1S/C21H28N2O.ClH/c1-14(2)20(22)11-12-23(3)21(24)19-13-18(19)17-10-6-8-15-7-4-5-9-16(15)17;/h4-10,14,18-20H,11-13,22H2,1-3H3;1H
InChIKeyIKBHIRNPCBESRJ-UHFFFAOYSA-N
MW360.93 g/mol
LogP4.20
Rot. Bonds6

About N-(3-amino-4-methylpentyl)-N-methyl-2-naphthalen-1-ylcyclopropane-1-carboxamide;hydrochloride

N-(3-amino-4-methylpentyl)-N-methyl-2-naphthalen-1-ylcyclopropane-1-carboxamide;hydrochloride (PubChem CID 119661456) has the molecular formula C21H29ClN2O and a molecular weight of 360.93 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N-methyl-2-naphthalen-1-ylcyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N-methyl-2-naphthalen-1-ylcyclopropane-1-carboxamide;hydrochloride
PubChem CID119661456
Molecular FormulaC21H29ClN2O
Molecular Weight360.93 g/mol
Exact Mass360.20
IUPAC NameN-(3-amino-4-methylpentyl)-N-methyl-2-naphthalen-1-ylcyclopropane-1-carboxamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)C1CC1c1cccc2ccccc12.Cl
InChIInChI=1S/C21H28N2O.ClH/c1-14(2)20(22)11-12-23(3)21(24)19-13-18(19)17-10-6-8-15-7-4-5-9-16(15)17;/h4-10,14,18-20H,11-13,22H2,1-3H3;1H
InChIKeyIKBHIRNPCBESRJ-UHFFFAOYSA-N
XLogP4.20
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.93
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-4-methylpentyl)-2-(2,5-difluorophenyl)-N-methylcyclopropane-1-carboxamide;hydrochloride
CID 119658836
cis-(1R,2S)-N-[(3R)-3-amino-4-methylpentyl]-N,2-dimethylcyclopropane-1-carboxamide
CID 99849762
N-(3-amino-4-methylpentyl)-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide;hydrochloride
CID 119995087
N-(3-amino-4-methylpentyl)-N-methyl-4-phenylcyclohexane-1-carboxamide;hydrochloride
CID 119659328
N-(3-amino-4-methylpentyl)-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide
CID 81485803
N-(3-amino-4-methylpentyl)-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 81487197
N-(3-amino-4-methylpentyl)-N-methyl-2-(1-oxophthalazin-2-yl)acetamide;hydrochloride
CID 119657464
N-(3-amino-4-methylpentyl)-1-benzoyl-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119659992
2-[2-methoxyethyl-(2-naphthalen-1-ylcyclopropanecarbonyl)amino]acetic acid
CID 119348048
N-(3-amino-4-methylpentyl)-N-methylbenzo[f]quinoline-5-carboxamide;dihydrochloride
CID 119660116
N-[(3S)-3-amino-4-methylpentyl]-6-fluoro-N-methylnaphthalene-1-carboxamide;hydrochloride
CID 170898691
N-(3-amino-4-methylpentyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-2-naphthalen-1-ylcyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-2-naphthalen-1-ylcyclopropane-1-carboxamide;hydrochloride (CID 119661456) is N-(3-amino-4-methylpentyl)-N-methyl-2-naphthalen-1-ylcyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N-methyl-2-naphthalen-1-ylcyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N-methyl-2-naphthalen-1-ylcyclopropane-1-carboxamide;hydrochloride is CC(C)C(N)CCN(C)C(=O)C1CC1c1cccc2ccccc12.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N-methyl-2-naphthalen-1-ylcyclopropane-1-carboxamide;hydrochloride?
The InChIKey is IKBHIRNPCBESRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O.ClH/c1-14(2)20(22)11-12-23(3)21(24)19-13-18(19)17-10-6-8-15-7-4-5-9-16(15)17;/h4-10,14,18-20H,11-13,22H2,1-3H3;1H.
What are the key properties of N-(3-amino-4-methylpentyl)-N-methyl-2-naphthalen-1-ylcyclopropane-1-carboxamide;hydrochloride?
N-(3-amino-4-methylpentyl)-N-methyl-2-naphthalen-1-ylcyclopropane-1-carboxamide;hydrochloride has a molecular weight of 360.93 g/mol, XLogP of 4.20, 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-2-naphthalen-1-ylcyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119661456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).