N-(3-amino-2-methylpropyl)-2-naphthalen-2-ylcyclopropane-1-carboxamide;hydrochloride

C18H23ClN2O — CID 119998352

IUPACN-(3-amino-2-methylpropyl)-2-naphthalen-2-ylcyclopropane-1-carboxamide;hydrochloride
SMILESCC(CN)CNC(=O)C1CC1c1ccc2ccccc2c1.Cl
InChIInChI=1S/C18H22N2O.ClH/c1-12(10-19)11-20-18(21)17-9-16(17)15-7-6-13-4-2-3-5-14(13)8-15;/h2-8,12,16-17H,9-11,19H2,1H3,(H,20,21);1H
InChIKeyPDJNPSCAOTXXGV-UHFFFAOYSA-N
MW318.85 g/mol
LogP3.08
Rot. Bonds5

About N-(3-amino-2-methylpropyl)-2-naphthalen-2-ylcyclopropane-1-carboxamide;hydrochloride

N-(3-amino-2-methylpropyl)-2-naphthalen-2-ylcyclopropane-1-carboxamide;hydrochloride (PubChem CID 119998352) has the molecular formula C18H23ClN2O and a molecular weight of 318.85 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-2-naphthalen-2-ylcyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-2-naphthalen-2-ylcyclopropane-1-carboxamide;hydrochloride
PubChem CID119998352
Molecular FormulaC18H23ClN2O
Molecular Weight318.85 g/mol
Exact Mass318.15
IUPAC NameN-(3-amino-2-methylpropyl)-2-naphthalen-2-ylcyclopropane-1-carboxamide;hydrochloride
SMILESCC(CN)CNC(=O)C1CC1c1ccc2ccccc2c1.Cl
InChIInChI=1S/C18H22N2O.ClH/c1-12(10-19)11-20-18(21)17-9-16(17)15-7-6-13-4-2-3-5-14(13)8-15;/h2-8,12,16-17H,9-11,19H2,1H3,(H,20,21);1H
InChIKeyPDJNPSCAOTXXGV-UHFFFAOYSA-N
XLogP3.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.85
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2-methylpropyl)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119997140
N-[(2R)-2-(ethylamino)propyl]-2-naphthalen-2-ylcyclopropane-1-carboxamide
CID 120650801
N-(2-aminoethyl)-2-naphthalen-2-ylcyclopropane-1-carboxamide
CID 119384164
N-(1-amino-2,3-dimethylbutan-2-yl)-2-naphthalen-2-ylcyclopropane-1-carboxamide;hydrochloride
CID 119607624
N-(1-hydroxy-2-methylpropan-2-yl)-2-naphthalen-2-ylcyclopropane-1-carboxamide
CID 110001055
2-naphthalen-2-ylcyclopropane-1-carboxylic acid
CID 43810264
cis-(1S,2R)-2-naphthalen-2-ylcyclopropane-1-carboxylic acid
CID 51888066
trans-(1S,2S)-2-naphthalen-2-ylcyclopropane-1-carboxylic acid
CID 51888068
cis-ethyl (1S,2R)-2-naphthalen-2-ylcyclopropane-1-carboxylate
CID 15758689
2-(4-fluorophenyl)-N-(2-naphthalen-2-ylethyl)cyclopropane-1-carboxamide
CID 78866705
N-(3-amino-2-methylpropyl)-4-phenylcyclohexane-1-carboxamide;hydrochloride
CID 119996102
2-(3,4-difluorophenyl)-N-[2-(methylamino)propyl]cyclopropane-1-carboxamide;hydrochloride
CID 120831796

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-2-naphthalen-2-ylcyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of N-(3-amino-2-methylpropyl)-2-naphthalen-2-ylcyclopropane-1-carboxamide;hydrochloride (CID 119998352) is N-(3-amino-2-methylpropyl)-2-naphthalen-2-ylcyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-2-naphthalen-2-ylcyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for N-(3-amino-2-methylpropyl)-2-naphthalen-2-ylcyclopropane-1-carboxamide;hydrochloride is CC(CN)CNC(=O)C1CC1c1ccc2ccccc2c1.Cl.
What is the InChIKey of N-(3-amino-2-methylpropyl)-2-naphthalen-2-ylcyclopropane-1-carboxamide;hydrochloride?
The InChIKey is PDJNPSCAOTXXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O.ClH/c1-12(10-19)11-20-18(21)17-9-16(17)15-7-6-13-4-2-3-5-14(13)8-15;/h2-8,12,16-17H,9-11,19H2,1H3,(H,20,21);1H.
What are the key properties of N-(3-amino-2-methylpropyl)-2-naphthalen-2-ylcyclopropane-1-carboxamide;hydrochloride?
N-(3-amino-2-methylpropyl)-2-naphthalen-2-ylcyclopropane-1-carboxamide;hydrochloride has a molecular weight of 318.85 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-2-naphthalen-2-ylcyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119998352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).