1-ethyl-N-(3-methoxycyclopentyl)azepan-4-amine

C14H28N2O — CID 114117952

IUPAC1-ethyl-N-(3-methoxycyclopentyl)azepan-4-amine
SMILESCCN1CCCC(NC2CCC(OC)C2)CC1
InChIInChI=1S/C14H28N2O/c1-3-16-9-4-5-12(8-10-16)15-13-6-7-14(11-13)17-2/h12-15H,3-11H2,1-2H3
InChIKeyITSIBFZQAUBVEE-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.02
Rot. Bonds4

About 1-ethyl-N-(3-methoxycyclopentyl)azepan-4-amine

1-ethyl-N-(3-methoxycyclopentyl)azepan-4-amine (PubChem CID 114117952) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-ethyl-N-(3-methoxycyclopentyl)azepan-4-amine.

Molecular Properties

Compound Name1-ethyl-N-(3-methoxycyclopentyl)azepan-4-amine
PubChem CID114117952
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-ethyl-N-(3-methoxycyclopentyl)azepan-4-amine
SMILESCCN1CCCC(NC2CCC(OC)C2)CC1
InChIInChI=1S/C14H28N2O/c1-3-16-9-4-5-12(8-10-16)15-13-6-7-14(11-13)17-2/h12-15H,3-11H2,1-2H3
InChIKeyITSIBFZQAUBVEE-UHFFFAOYSA-N
XLogP2.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-N-[(1S,3S)-3-methoxycyclopentyl]piperidin-4-amine
CID 124620888
3-[(1-ethylazepan-4-yl)amino]cyclohexane-1-carboxylic acid
CID 65077252
N-(1,1-dioxothian-4-yl)-1-ethylazepan-4-amine
CID 65074346
4-[(3-methoxycyclopentyl)amino]piperidine-1-carboxamide
CID 103081793
methyl N-(1-ethylazepan-4-yl)carbamate
CID 166167554
1-ethyl-N-methylazepan-4-amine;methyl formate
CID 170601459
N-(3,4-dimethylcyclohexyl)-1-propylazepan-4-amine
CID 65078643
N-(cyclopentylmethyl)-1-ethylazepan-4-amine
CID 65074491
tert-butyl 4-[(1-ethylpiperidin-4-yl)amino]azepane-1-carboxylate
CID 103981745
2-(1-ethylazepan-4-yl)-1,1-dimethylhydrazine
CID 83005446
1-ethyl-N-(4-propylcyclohexyl)piperidin-4-amine
CID 60663750
N-(3-methoxycyclopentyl)oxan-3-amine
CID 103082989

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(3-methoxycyclopentyl)azepan-4-amine?
The IUPAC name of 1-ethyl-N-(3-methoxycyclopentyl)azepan-4-amine (CID 114117952) is 1-ethyl-N-(3-methoxycyclopentyl)azepan-4-amine.
What is the SMILES notation for 1-ethyl-N-(3-methoxycyclopentyl)azepan-4-amine?
The canonical SMILES for 1-ethyl-N-(3-methoxycyclopentyl)azepan-4-amine is CCN1CCCC(NC2CCC(OC)C2)CC1.
What is the InChIKey of 1-ethyl-N-(3-methoxycyclopentyl)azepan-4-amine?
The InChIKey is ITSIBFZQAUBVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-3-16-9-4-5-12(8-10-16)15-13-6-7-14(11-13)17-2/h12-15H,3-11H2,1-2H3.
What are the key properties of 1-ethyl-N-(3-methoxycyclopentyl)azepan-4-amine?
1-ethyl-N-(3-methoxycyclopentyl)azepan-4-amine has a molecular weight of 240.39 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(3-methoxycyclopentyl)azepan-4-amine is sourced from PubChem (CID 114117952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).