1-(aminomethyl)-N-(1-naphthalen-1-ylethyl)cyclopropane-1-carboxamide

C17H20N2O — CID 115453236

IUPAC1-(aminomethyl)-N-(1-naphthalen-1-ylethyl)cyclopropane-1-carboxamide
SMILESCC(NC(=O)C1(CN)CC1)c1cccc2ccccc12
InChIInChI=1S/C17H20N2O/c1-12(19-16(20)17(11-18)9-10-17)14-8-4-6-13-5-2-3-7-15(13)14/h2-8,12H,9-11,18H2,1H3,(H,19,20)
InChIKeyLNEPXAWCKUCUGK-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.76
Rot. Bonds4

About 1-(aminomethyl)-N-(1-naphthalen-1-ylethyl)cyclopropane-1-carboxamide

1-(aminomethyl)-N-(1-naphthalen-1-ylethyl)cyclopropane-1-carboxamide (PubChem CID 115453236) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(1-naphthalen-1-ylethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(1-naphthalen-1-ylethyl)cyclopropane-1-carboxamide
PubChem CID115453236
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1-(aminomethyl)-N-(1-naphthalen-1-ylethyl)cyclopropane-1-carboxamide
SMILESCC(NC(=O)C1(CN)CC1)c1cccc2ccccc12
InChIInChI=1S/C17H20N2O/c1-12(19-16(20)17(11-18)9-10-17)14-8-4-6-13-5-2-3-7-15(13)14/h2-8,12H,9-11,18H2,1H3,(H,19,20)
InChIKeyLNEPXAWCKUCUGK-UHFFFAOYSA-N
XLogP2.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-N-(1-naphthalen-1-ylethyl)oxane-4-carboxamide;hydrochloride
CID 120919076
1-(2-aminoethyl)-N-(1-naphthalen-1-ylethyl)cyclobutane-1-carboxamide
CID 167870150
1-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]cyclobutane-1-carboxamide
CID 115448423
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
1-(aminomethyl)-4-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 115442483
1-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-4-methylcyclohexane-1-carboxamide
CID 115441667
4-(aminomethyl)-N-[1-(2-bromophenyl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120918974
4-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120918857
4-(aminomethyl)-N-[1-(2-methoxyphenyl)ethyl]oxane-4-carboxamide
CID 115439459
N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
1-(aminomethyl)-N-(1-phenylethyl)cyclobutane-1-carboxamide
CID 80586699
1-(aminomethyl)-N-(1-phenylethyl)cyclopentane-1-carboxamide
CID 55037856

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(1-naphthalen-1-ylethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(1-naphthalen-1-ylethyl)cyclopropane-1-carboxamide (CID 115453236) is 1-(aminomethyl)-N-(1-naphthalen-1-ylethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(1-naphthalen-1-ylethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(1-naphthalen-1-ylethyl)cyclopropane-1-carboxamide is CC(NC(=O)C1(CN)CC1)c1cccc2ccccc12.
What is the InChIKey of 1-(aminomethyl)-N-(1-naphthalen-1-ylethyl)cyclopropane-1-carboxamide?
The InChIKey is LNEPXAWCKUCUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12(19-16(20)17(11-18)9-10-17)14-8-4-6-13-5-2-3-7-15(13)14/h2-8,12H,9-11,18H2,1H3,(H,19,20).
What are the key properties of 1-(aminomethyl)-N-(1-naphthalen-1-ylethyl)cyclopropane-1-carboxamide?
1-(aminomethyl)-N-(1-naphthalen-1-ylethyl)cyclopropane-1-carboxamide has a molecular weight of 268.36 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(1-naphthalen-1-ylethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 115453236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).