[2-(aminomethyl)azepan-1-yl]-(1-ethylcyclopentyl)methanone

C15H28N2O — CID 116639879

IUPAC[2-(aminomethyl)azepan-1-yl]-(1-ethylcyclopentyl)methanone
SMILESCCC1(C(=O)N2CCCCCC2CN)CCCC1
InChIInChI=1S/C15H28N2O/c1-2-15(9-5-6-10-15)14(18)17-11-7-3-4-8-13(17)12-16/h13H,2-12,16H2,1H3
InChIKeyFAISPTHLUWVDSI-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.69
Rot. Bonds3

About [2-(aminomethyl)azepan-1-yl]-(1-ethylcyclopentyl)methanone

[2-(aminomethyl)azepan-1-yl]-(1-ethylcyclopentyl)methanone (PubChem CID 116639879) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is [2-(aminomethyl)azepan-1-yl]-(1-ethylcyclopentyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)azepan-1-yl]-(1-ethylcyclopentyl)methanone
PubChem CID116639879
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name[2-(aminomethyl)azepan-1-yl]-(1-ethylcyclopentyl)methanone
SMILESCCC1(C(=O)N2CCCCCC2CN)CCCC1
InChIInChI=1S/C15H28N2O/c1-2-15(9-5-6-10-15)14(18)17-11-7-3-4-8-13(17)12-16/h13H,2-12,16H2,1H3
InChIKeyFAISPTHLUWVDSI-UHFFFAOYSA-N
XLogP2.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-ethylpiperidin-3-yl)-(2-propylpiperidin-1-yl)methanone
CID 83052876
3-[1-(4-ethylpiperidine-4-carbonyl)piperidin-2-yl]propanoic acid
CID 63129046
(2R)-2-(aminomethyl)piperidine-1-carboxylic acid
CID 67494395
[1-(aminomethyl)cyclobutyl]-(2-methylazepan-1-yl)methanone
CID 80599736
[1-(aminomethyl)cycloheptyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 62480619
[2-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119261191
[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(2-ethylpiperidin-1-yl)methanone
CID 108980012
1-[2-(aminomethyl)piperidin-1-yl]-2-methylsulfanylpropan-1-one
CID 119466300
1-(4-ethylpiperidine-4-carbonyl)azepane-2-carboxylic acid
CID 64562121
methyl 1-[1-(aminomethyl)cyclohexanecarbonyl]piperidine-2-carboxylate
CID 115437510
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-cycloheptylethanone
CID 113265851
(3-ethylpyrrolidin-3-yl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 63141995

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)azepan-1-yl]-(1-ethylcyclopentyl)methanone?
The IUPAC name of [2-(aminomethyl)azepan-1-yl]-(1-ethylcyclopentyl)methanone (CID 116639879) is [2-(aminomethyl)azepan-1-yl]-(1-ethylcyclopentyl)methanone.
What is the SMILES notation for [2-(aminomethyl)azepan-1-yl]-(1-ethylcyclopentyl)methanone?
The canonical SMILES for [2-(aminomethyl)azepan-1-yl]-(1-ethylcyclopentyl)methanone is CCC1(C(=O)N2CCCCCC2CN)CCCC1.
What is the InChIKey of [2-(aminomethyl)azepan-1-yl]-(1-ethylcyclopentyl)methanone?
The InChIKey is FAISPTHLUWVDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-2-15(9-5-6-10-15)14(18)17-11-7-3-4-8-13(17)12-16/h13H,2-12,16H2,1H3.
What are the key properties of [2-(aminomethyl)azepan-1-yl]-(1-ethylcyclopentyl)methanone?
[2-(aminomethyl)azepan-1-yl]-(1-ethylcyclopentyl)methanone has a molecular weight of 252.40 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)azepan-1-yl]-(1-ethylcyclopentyl)methanone is sourced from PubChem (CID 116639879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).