N-[2-(aminomethyl)cyclohexyl]-3-naphthalen-2-ylpropanamide

C20H26N2O — CID 119611998

IUPACN-[2-(aminomethyl)cyclohexyl]-3-naphthalen-2-ylpropanamide
SMILESNCC1CCCCC1NC(=O)CCc1ccc2ccccc2c1
InChIInChI=1S/C20H26N2O/c21-14-18-7-3-4-8-19(18)22-20(23)12-10-15-9-11-16-5-1-2-6-17(16)13-15/h1-2,5-6,9,11,13,18-19H,3-4,7-8,10,12,14,21H2,(H,22,23)
InChIKeyRUQVETMCJKFQOP-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.41
Rot. Bonds5

About N-[2-(aminomethyl)cyclohexyl]-3-naphthalen-2-ylpropanamide

N-[2-(aminomethyl)cyclohexyl]-3-naphthalen-2-ylpropanamide (PubChem CID 119611998) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-3-naphthalen-2-ylpropanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-3-naphthalen-2-ylpropanamide
PubChem CID119611998
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-3-naphthalen-2-ylpropanamide
SMILESNCC1CCCCC1NC(=O)CCc1ccc2ccccc2c1
InChIInChI=1S/C20H26N2O/c21-14-18-7-3-4-8-19(18)22-20(23)12-10-15-9-11-16-5-1-2-6-17(16)13-15/h1-2,5-6,9,11,13,18-19H,3-4,7-8,10,12,14,21H2,(H,22,23)
InChIKeyRUQVETMCJKFQOP-UHFFFAOYSA-N
XLogP3.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-2-naphthalen-2-ylacetamide;hydrochloride
CID 119600586
N-[2-(aminomethyl)cyclohexyl]-3-(3,4-dimethoxyphenyl)propanamide;hydrochloride
CID 119612216
N-[2-(aminomethyl)cyclopentyl]-3-(3-methylphenyl)propanamide
CID 62955686
N-[2-(aminomethyl)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]propanamide
CID 119611618
N-[2-(aminomethyl)cyclohexyl]-3-(2-aminophenyl)propanamide
CID 122080752
N-(2-amino-1-cyclohexyl-2-oxoethyl)-3-naphthalen-2-ylpropanamide
CID 142442818
N-[2-(aminomethyl)cyclohexyl]-3-pyridin-3-ylpropanamide
CID 81483186
N-[2-(aminomethyl)cyclohexyl]-4-(3,4-difluorophenyl)butanamide
CID 119610887
N-[2-(aminomethyl)cyclopentyl]-3-(3-bromo-4-methoxyphenyl)propanamide
CID 119601994
N-[2-(aminomethyl)cyclohexyl]-3-(2-bromophenyl)propanamide;hydrochloride
CID 119611792
N-[(1R,2R)-2-hydroxycyclohexyl]-2-naphthalen-2-ylacetamide
CID 104927093
N-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide
CID 119610794

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-3-naphthalen-2-ylpropanamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-3-naphthalen-2-ylpropanamide (CID 119611998) is N-[2-(aminomethyl)cyclohexyl]-3-naphthalen-2-ylpropanamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-3-naphthalen-2-ylpropanamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-3-naphthalen-2-ylpropanamide is NCC1CCCCC1NC(=O)CCc1ccc2ccccc2c1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-3-naphthalen-2-ylpropanamide?
The InChIKey is RUQVETMCJKFQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c21-14-18-7-3-4-8-19(18)22-20(23)12-10-15-9-11-16-5-1-2-6-17(16)13-15/h1-2,5-6,9,11,13,18-19H,3-4,7-8,10,12,14,21H2,(H,22,23).
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-3-naphthalen-2-ylpropanamide?
N-[2-(aminomethyl)cyclohexyl]-3-naphthalen-2-ylpropanamide has a molecular weight of 310.44 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-3-naphthalen-2-ylpropanamide is sourced from PubChem (CID 119611998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).