N-[(3-aminocyclohexyl)methyl]naphthalene-1-carboxamide

C18H22N2O — CID 106123070

IUPACN-[(3-aminocyclohexyl)methyl]naphthalene-1-carboxamide
SMILESNC1CCCC(CNC(=O)c2cccc3ccccc23)C1
InChIInChI=1S/C18H22N2O/c19-15-8-3-5-13(11-15)12-20-18(21)17-10-4-7-14-6-1-2-9-16(14)17/h1-2,4,6-7,9-10,13,15H,3,5,8,11-12,19H2,(H,20,21)
InChIKeyAGHUGHJXVRNDGM-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.09
Rot. Bonds3

About N-[(3-aminocyclohexyl)methyl]naphthalene-1-carboxamide

N-[(3-aminocyclohexyl)methyl]naphthalene-1-carboxamide (PubChem CID 106123070) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[(3-aminocyclohexyl)methyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(3-aminocyclohexyl)methyl]naphthalene-1-carboxamide
PubChem CID106123070
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[(3-aminocyclohexyl)methyl]naphthalene-1-carboxamide
SMILESNC1CCCC(CNC(=O)c2cccc3ccccc23)C1
InChIInChI=1S/C18H22N2O/c19-15-8-3-5-13(11-15)12-20-18(21)17-10-4-7-14-6-1-2-9-16(14)17/h1-2,4,6-7,9-10,13,15H,3,5,8,11-12,19H2,(H,20,21)
InChIKeyAGHUGHJXVRNDGM-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-[(3-aminocyclohexyl)methyl]-2,3-difluorobenzamide
CID 106123375
N-[(3-chlorocyclopentyl)methyl]naphthalene-1-carboxamide
CID 106126223
N-[(3-aminocyclohexyl)methyl]-3-hydroxy-2-methylbenzamide
CID 106123416
N-[(2-aminocyclohexyl)methyl]naphthalene-1-carboxamide
CID 64928625
N-[[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide
CID 97272246
N-[(3-aminocyclohexyl)methyl]quinoline-2-carboxamide
CID 106123559
N-[[2-(bromomethyl)cyclopentyl]methyl]naphthalene-1-carboxamide
CID 114317019
N-[[1-(cyclohexanecarbonyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide
CID 45219081
N-[(3-aminocyclohexyl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 106123950
2-amino-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103950315
N-[(3-aminocyclohexyl)methyl]-2-hydroxy-5-methylbenzamide
CID 106123350
N-[2-(cyclobutylmethylcarbamoyl)-3-methoxyphenyl]naphthalene-1-carboxamide
CID 11560152

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclohexyl)methyl]naphthalene-1-carboxamide?
The IUPAC name of N-[(3-aminocyclohexyl)methyl]naphthalene-1-carboxamide (CID 106123070) is N-[(3-aminocyclohexyl)methyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[(3-aminocyclohexyl)methyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[(3-aminocyclohexyl)methyl]naphthalene-1-carboxamide is NC1CCCC(CNC(=O)c2cccc3ccccc23)C1.
What is the InChIKey of N-[(3-aminocyclohexyl)methyl]naphthalene-1-carboxamide?
The InChIKey is AGHUGHJXVRNDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c19-15-8-3-5-13(11-15)12-20-18(21)17-10-4-7-14-6-1-2-9-16(14)17/h1-2,4,6-7,9-10,13,15H,3,5,8,11-12,19H2,(H,20,21).
What are the key properties of N-[(3-aminocyclohexyl)methyl]naphthalene-1-carboxamide?
N-[(3-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-[(3-aminocyclohexyl)methyl]naphthalene-1-carboxamide is sourced from PubChem (CID 106123070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).