N-[(2-aminocyclohexyl)methyl]naphthalene-1-carboxamide

C18H22N2O — CID 64928625

IUPACN-[(2-aminocyclohexyl)methyl]naphthalene-1-carboxamide
SMILESNC1CCCCC1CNC(=O)c1cccc2ccccc12
InChIInChI=1S/C18H22N2O/c19-17-11-4-2-7-14(17)12-20-18(21)16-10-5-8-13-6-1-3-9-15(13)16/h1,3,5-6,8-10,14,17H,2,4,7,11-12,19H2,(H,20,21)
InChIKeyYVZPNNZVWZILDX-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.09
Rot. Bonds3

About N-[(2-aminocyclohexyl)methyl]naphthalene-1-carboxamide

N-[(2-aminocyclohexyl)methyl]naphthalene-1-carboxamide (PubChem CID 64928625) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[(2-aminocyclohexyl)methyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(2-aminocyclohexyl)methyl]naphthalene-1-carboxamide
PubChem CID64928625
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[(2-aminocyclohexyl)methyl]naphthalene-1-carboxamide
SMILESNC1CCCCC1CNC(=O)c1cccc2ccccc12
InChIInChI=1S/C18H22N2O/c19-17-11-4-2-7-14(17)12-20-18(21)16-10-5-8-13-6-1-3-9-15(13)16/h1,3,5-6,8-10,14,17H,2,4,7,11-12,19H2,(H,20,21)
InChIKeyYVZPNNZVWZILDX-UHFFFAOYSA-N
XLogP3.09
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(bromomethyl)cyclopentyl]methyl]naphthalene-1-carboxamide
CID 114317019
N-[(3-aminocyclohexyl)methyl]naphthalene-1-carboxamide
CID 106123070
N-(2-amino-2-oxoethyl)naphthalene-1-carboxamide
CID 4059241
N-[(2-aminocyclohexyl)methyl]-2,3,4-trifluorobenzamide
CID 79756556
N-[(3-chlorocyclopentyl)methyl]naphthalene-1-carboxamide
CID 106126223
N-(2-aminocyclopropyl)naphthalene-1-carboxamide
CID 43593836
N-(2-aminocyclohexyl)-N-methylnaphthalene-1-carboxamide
CID 102638977
N-[[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide
CID 97272246
N'-cyclohexylnaphthalene-1-carbohydrazide
CID 22613432
N-[[1-(cyclohexanecarbonyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide
CID 45219081
N-[(2-aminocyclohexyl)methyl]-2-fluoro-5-methylbenzamide
CID 64929794
N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-methylbenzamide
CID 70846071

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminocyclohexyl)methyl]naphthalene-1-carboxamide?
The IUPAC name of N-[(2-aminocyclohexyl)methyl]naphthalene-1-carboxamide (CID 64928625) is N-[(2-aminocyclohexyl)methyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[(2-aminocyclohexyl)methyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[(2-aminocyclohexyl)methyl]naphthalene-1-carboxamide is NC1CCCCC1CNC(=O)c1cccc2ccccc12.
What is the InChIKey of N-[(2-aminocyclohexyl)methyl]naphthalene-1-carboxamide?
The InChIKey is YVZPNNZVWZILDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c19-17-11-4-2-7-14(17)12-20-18(21)16-10-5-8-13-6-1-3-9-15(13)16/h1,3,5-6,8-10,14,17H,2,4,7,11-12,19H2,(H,20,21).
What are the key properties of N-[(2-aminocyclohexyl)methyl]naphthalene-1-carboxamide?
N-[(2-aminocyclohexyl)methyl]naphthalene-1-carboxamide has a molecular weight of 282.39 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminocyclohexyl)methyl]naphthalene-1-carboxamide is sourced from PubChem (CID 64928625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).