2-(azepan-1-yl)-3-cyclopropylpropan-1-amine

C12H24N2 — CID 82399266

IUPAC2-(azepan-1-yl)-3-cyclopropylpropan-1-amine
SMILESNCC(CC1CC1)N1CCCCCC1
InChIInChI=1S/C12H24N2/c13-10-12(9-11-5-6-11)14-7-3-1-2-4-8-14/h11-12H,1-10,13H2
InChIKeyQFZAVBZMWUYKGK-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.99
Rot. Bonds4

About 2-(azepan-1-yl)-3-cyclopropylpropan-1-amine

2-(azepan-1-yl)-3-cyclopropylpropan-1-amine (PubChem CID 82399266) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 2-(azepan-1-yl)-3-cyclopropylpropan-1-amine.

Molecular Properties

Compound Name2-(azepan-1-yl)-3-cyclopropylpropan-1-amine
PubChem CID82399266
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name2-(azepan-1-yl)-3-cyclopropylpropan-1-amine
SMILESNCC(CC1CC1)N1CCCCCC1
InChIInChI=1S/C12H24N2/c13-10-12(9-11-5-6-11)14-7-3-1-2-4-8-14/h11-12H,1-10,13H2
InChIKeyQFZAVBZMWUYKGK-UHFFFAOYSA-N
XLogP1.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(azepan-1-yl)-3-cyclopropylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-2-(azocan-1-yl)propan-1-ol
CID 104710806
2-cyclopentyl-2-pyrrolidin-1-ylethanamine
CID 62071576
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-cyclohexylpropan-1-amine
CID 82746613
4-amino-N-cyclopropyl-3-piperidin-1-ylbutanamide
CID 66431608
1-(1,3-dicyclohexylpropan-2-yl)piperazine;dihydrochloride
CID 69431994
2-(azocan-1-yl)nonan-1-amine
CID 43130470
1-cyclopropyl-3-piperidin-1-ylpropan-2-amine
CID 82407506
N-(1-cyclopropylpropan-2-yl)-2-pyrrolidin-1-ylbutan-1-amine
CID 115709200
2-(1-methylpiperidin-3-yl)-2-pyrrolidin-1-ylethanamine
CID 165347854
3-amino-2-piperidin-1-ylpropanal
CID 131967781
3-(4-bromophenyl)-2-piperidin-1-ylpropan-1-amine
CID 82094586
2-(aminomethyl)-3-cyclooctyl-1-pyrrolidin-1-ylpropan-1-one
CID 114207905

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-3-cyclopropylpropan-1-amine?
The IUPAC name of 2-(azepan-1-yl)-3-cyclopropylpropan-1-amine (CID 82399266) is 2-(azepan-1-yl)-3-cyclopropylpropan-1-amine.
What is the SMILES notation for 2-(azepan-1-yl)-3-cyclopropylpropan-1-amine?
The canonical SMILES for 2-(azepan-1-yl)-3-cyclopropylpropan-1-amine is NCC(CC1CC1)N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-3-cyclopropylpropan-1-amine?
The InChIKey is QFZAVBZMWUYKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c13-10-12(9-11-5-6-11)14-7-3-1-2-4-8-14/h11-12H,1-10,13H2.
What are the key properties of 2-(azepan-1-yl)-3-cyclopropylpropan-1-amine?
2-(azepan-1-yl)-3-cyclopropylpropan-1-amine has a molecular weight of 196.34 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-3-cyclopropylpropan-1-amine is sourced from PubChem (CID 82399266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).