3-(azepan-1-yl)-2-ethyl-N-propylcyclobutan-1-amine

C15H30N2 — CID 166648808

IUPAC3-(azepan-1-yl)-2-ethyl-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(N2CCCCCC2)C1CC
InChIInChI=1S/C15H30N2/c1-3-9-16-14-12-15(13(14)4-2)17-10-7-5-6-8-11-17/h13-16H,3-12H2,1-2H3
InChIKeyYEDOQUJTUJJQAY-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.03
Rot. Bonds5

About 3-(azepan-1-yl)-2-ethyl-N-propylcyclobutan-1-amine

3-(azepan-1-yl)-2-ethyl-N-propylcyclobutan-1-amine (PubChem CID 166648808) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 3-(azepan-1-yl)-2-ethyl-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(azepan-1-yl)-2-ethyl-N-propylcyclobutan-1-amine
PubChem CID166648808
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name3-(azepan-1-yl)-2-ethyl-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(N2CCCCCC2)C1CC
InChIInChI=1S/C15H30N2/c1-3-9-16-14-12-15(13(14)4-2)17-10-7-5-6-8-11-17/h13-16H,3-12H2,1-2H3
InChIKeyYEDOQUJTUJJQAY-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azepan-1-yl)-4-tert-butyl-N-propylcyclohexan-1-amine
CID 63466548
2-(azepan-1-ylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64736211
5-(azocan-1-yl)-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79865020
2-(4-propan-2-ylpiperidin-1-yl)-N-propylcyclooctan-1-amine
CID 103494992
2-(2-ethylazepan-1-yl)-N-propylcyclohexan-1-amine
CID 104689600
4-methyl-2-(1,4-oxazepan-4-yl)-N-propylcyclohexan-1-amine
CID 62987813
2-(3-ethylpiperidin-1-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64723017
2-(4,4-dimethylazepan-1-yl)-N-propylcyclopentan-1-amine
CID 65281074
4-ethyl-2-(4-methylpiperidin-1-yl)-N-propylcyclohexan-1-amine
CID 55192276
2-(azocan-1-yl)-N,4-diethylcyclohexan-1-amine
CID 63465174
2-[4-(methoxymethyl)piperidin-1-yl]-N-propylcycloheptan-1-amine
CID 63972305
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-ethyl-N-propylcyclohexan-1-amine
CID 79928660

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-1-yl)-2-ethyl-N-propylcyclobutan-1-amine?
The IUPAC name of 3-(azepan-1-yl)-2-ethyl-N-propylcyclobutan-1-amine (CID 166648808) is 3-(azepan-1-yl)-2-ethyl-N-propylcyclobutan-1-amine.
What is the SMILES notation for 3-(azepan-1-yl)-2-ethyl-N-propylcyclobutan-1-amine?
The canonical SMILES for 3-(azepan-1-yl)-2-ethyl-N-propylcyclobutan-1-amine is CCCNC1CC(N2CCCCCC2)C1CC.
What is the InChIKey of 3-(azepan-1-yl)-2-ethyl-N-propylcyclobutan-1-amine?
The InChIKey is YEDOQUJTUJJQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-3-9-16-14-12-15(13(14)4-2)17-10-7-5-6-8-11-17/h13-16H,3-12H2,1-2H3.
What are the key properties of 3-(azepan-1-yl)-2-ethyl-N-propylcyclobutan-1-amine?
3-(azepan-1-yl)-2-ethyl-N-propylcyclobutan-1-amine has a molecular weight of 238.42 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-1-yl)-2-ethyl-N-propylcyclobutan-1-amine is sourced from PubChem (CID 166648808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).