[1-(aminomethyl)cyclohexyl]-naphthalen-1-ylmethanone

C18H21NO — CID 116600777

IUPAC[1-(aminomethyl)cyclohexyl]-naphthalen-1-ylmethanone
SMILESNCC1(C(=O)c2cccc3ccccc23)CCCCC1
InChIInChI=1S/C18H21NO/c19-13-18(11-4-1-5-12-18)17(20)16-10-6-8-14-7-2-3-9-15(14)16/h2-3,6-10H,1,4-5,11-13,19H2
InChIKeyILHRINZHCWURKR-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.93
Rot. Bonds3

About [1-(aminomethyl)cyclohexyl]-naphthalen-1-ylmethanone

[1-(aminomethyl)cyclohexyl]-naphthalen-1-ylmethanone (PubChem CID 116600777) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is [1-(aminomethyl)cyclohexyl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[1-(aminomethyl)cyclohexyl]-naphthalen-1-ylmethanone
PubChem CID116600777
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name[1-(aminomethyl)cyclohexyl]-naphthalen-1-ylmethanone
SMILESNCC1(C(=O)c2cccc3ccccc23)CCCCC1
InChIInChI=1S/C18H21NO/c19-13-18(11-4-1-5-12-18)17(20)16-10-6-8-14-7-2-3-9-15(14)16/h2-3,6-10H,1,4-5,11-13,19H2
InChIKeyILHRINZHCWURKR-UHFFFAOYSA-N
XLogP3.93
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(aminomethyl)cycloheptyl]-isoquinolin-8-ylmethanone
CID 103133490
[3-(aminomethyl)oxetan-3-yl]-naphthalen-1-ylmethanone
CID 116922800
[1-(aminomethyl)cycloheptyl]-quinolin-8-ylmethanone
CID 116602174
[1-(aminomethyl)cyclopentyl]-(1-benzothiophen-7-yl)methanone
CID 116600912
[1-(aminomethyl)cyclobutyl]-(2,3-dimethylphenyl)methanone
CID 116600303
[1-(aminomethyl)cyclopropyl]-(2-hydroxyphenyl)methanone
CID 105444935
N-[1-(aminomethyl)cyclopentyl]naphthalene-1-carboxamide
CID 63753414
[1-(aminomethyl)cyclohexyl]-(2-propan-2-yloxyphenyl)methanone
CID 116600547
[1-(aminomethyl)cyclohexyl]-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 114748039
[4-(aminomethyl)oxan-4-yl]-isoquinolin-4-ylmethanone
CID 116603074
[3-(hydroxymethyl)oxetan-3-yl]-naphthalen-1-ylmethanone
CID 116922657
[1-(aminomethyl)cyclohexyl]-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103434920

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclohexyl]-naphthalen-1-ylmethanone?
The IUPAC name of [1-(aminomethyl)cyclohexyl]-naphthalen-1-ylmethanone (CID 116600777) is [1-(aminomethyl)cyclohexyl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [1-(aminomethyl)cyclohexyl]-naphthalen-1-ylmethanone?
The canonical SMILES for [1-(aminomethyl)cyclohexyl]-naphthalen-1-ylmethanone is NCC1(C(=O)c2cccc3ccccc23)CCCCC1.
What is the InChIKey of [1-(aminomethyl)cyclohexyl]-naphthalen-1-ylmethanone?
The InChIKey is ILHRINZHCWURKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c19-13-18(11-4-1-5-12-18)17(20)16-10-6-8-14-7-2-3-9-15(14)16/h2-3,6-10H,1,4-5,11-13,19H2.
What are the key properties of [1-(aminomethyl)cyclohexyl]-naphthalen-1-ylmethanone?
[1-(aminomethyl)cyclohexyl]-naphthalen-1-ylmethanone has a molecular weight of 267.37 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclohexyl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 116600777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).