(1S)-3-(2-butylpyrrolidin-1-yl)-N-(1-cyclohexylethenyl)-1-(2,3-dihydropyridin-5-yl)propan-1-amine

C24H41N3 — CID 135294487

IUPAC(1S)-3-(2-butylpyrrolidin-1-yl)-N-(1-cyclohexylethenyl)-1-(2,3-dihydropyridin-5-yl)propan-1-amine
SMILESC=C(N[C@@H](CCN1CCCC1CCCC)C1=CCCN=C1)C1CCCCC1
InChIInChI=1S/C24H41N3/c1-3-4-13-23-14-9-17-27(23)18-15-24(22-12-8-16-25-19-22)26-20(2)21-10-6-5-7-11-21/h12,19,21,23-24,26H,2-11,13-18H2,1H3/t23?,24-/m0/s1
InChIKeyBRGFYEBOQSAVAN-CGAIIQECSA-N
MW371.61 g/mol
LogP5.48
Rot. Bonds10

About (1S)-3-(2-butylpyrrolidin-1-yl)-N-(1-cyclohexylethenyl)-1-(2,3-dihydropyridin-5-yl)propan-1-amine

(1S)-3-(2-butylpyrrolidin-1-yl)-N-(1-cyclohexylethenyl)-1-(2,3-dihydropyridin-5-yl)propan-1-amine (PubChem CID 135294487) has the molecular formula C24H41N3 and a molecular weight of 371.61 g/mol. Its IUPAC name is (1S)-3-(2-butylpyrrolidin-1-yl)-N-(1-cyclohexylethenyl)-1-(2,3-dihydropyridin-5-yl)propan-1-amine.

Molecular Properties

Compound Name(1S)-3-(2-butylpyrrolidin-1-yl)-N-(1-cyclohexylethenyl)-1-(2,3-dihydropyridin-5-yl)propan-1-amine
PubChem CID135294487
Molecular FormulaC24H41N3
Molecular Weight371.61 g/mol
Exact Mass371.33
IUPAC Name(1S)-3-(2-butylpyrrolidin-1-yl)-N-(1-cyclohexylethenyl)-1-(2,3-dihydropyridin-5-yl)propan-1-amine
SMILESC=C(N[C@@H](CCN1CCCC1CCCC)C1=CCCN=C1)C1CCCCC1
InChIInChI=1S/C24H41N3/c1-3-4-13-23-14-9-17-27(23)18-15-24(22-12-8-16-25-19-22)26-20(2)21-10-6-5-7-11-21/h12,19,21,23-24,26H,2-11,13-18H2,1H3/t23?,24-/m0/s1
InChIKeyBRGFYEBOQSAVAN-CGAIIQECSA-N
XLogP5.48
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.61
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-3-(2-butylpyrrolidin-1-yl)-N-(1-cyclohexylethenyl)-1-(2,3-dihydropyridin-5-yl)propan-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

Frequently Asked Questions

What is the IUPAC name of (1S)-3-(2-butylpyrrolidin-1-yl)-N-(1-cyclohexylethenyl)-1-(2,3-dihydropyridin-5-yl)propan-1-amine?
The IUPAC name of (1S)-3-(2-butylpyrrolidin-1-yl)-N-(1-cyclohexylethenyl)-1-(2,3-dihydropyridin-5-yl)propan-1-amine (CID 135294487) is (1S)-3-(2-butylpyrrolidin-1-yl)-N-(1-cyclohexylethenyl)-1-(2,3-dihydropyridin-5-yl)propan-1-amine.
What is the SMILES notation for (1S)-3-(2-butylpyrrolidin-1-yl)-N-(1-cyclohexylethenyl)-1-(2,3-dihydropyridin-5-yl)propan-1-amine?
The canonical SMILES for (1S)-3-(2-butylpyrrolidin-1-yl)-N-(1-cyclohexylethenyl)-1-(2,3-dihydropyridin-5-yl)propan-1-amine is C=C(N[C@@H](CCN1CCCC1CCCC)C1=CCCN=C1)C1CCCCC1.
What is the InChIKey of (1S)-3-(2-butylpyrrolidin-1-yl)-N-(1-cyclohexylethenyl)-1-(2,3-dihydropyridin-5-yl)propan-1-amine?
The InChIKey is BRGFYEBOQSAVAN-CGAIIQECSA-N. The full InChI is InChI=1S/C24H41N3/c1-3-4-13-23-14-9-17-27(23)18-15-24(22-12-8-16-25-19-22)26-20(2)21-10-6-5-7-11-21/h12,19,21,23-24,26H,2-11,13-18H2,1H3/t23?,24-/m0/s1.
What are the key properties of (1S)-3-(2-butylpyrrolidin-1-yl)-N-(1-cyclohexylethenyl)-1-(2,3-dihydropyridin-5-yl)propan-1-amine?
(1S)-3-(2-butylpyrrolidin-1-yl)-N-(1-cyclohexylethenyl)-1-(2,3-dihydropyridin-5-yl)propan-1-amine has a molecular weight of 371.61 g/mol, XLogP of 5.48, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-(2-butylpyrrolidin-1-yl)-N-(1-cyclohexylethenyl)-1-(2,3-dihydropyridin-5-yl)propan-1-amine is sourced from PubChem (CID 135294487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).