N-ethenyl-2-(3-methylhex-1-en-2-yl)pyrrolidin-1-amine

C13H24N2 — CID 146358384

IUPACN-ethenyl-2-(3-methylhex-1-en-2-yl)pyrrolidin-1-amine
SMILESC=CNN1CCCC1C(=C)C(C)CCC
InChIInChI=1S/C13H24N2/c1-5-8-11(3)12(4)13-9-7-10-15(13)14-6-2/h6,11,13-14H,2,4-5,7-10H2,1,3H3
InChIKeyMAPCUSOJJQGKOT-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.09
Rot. Bonds6

About N-ethenyl-2-(3-methylhex-1-en-2-yl)pyrrolidin-1-amine

N-ethenyl-2-(3-methylhex-1-en-2-yl)pyrrolidin-1-amine (PubChem CID 146358384) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is N-ethenyl-2-(3-methylhex-1-en-2-yl)pyrrolidin-1-amine.

Molecular Properties

Compound NameN-ethenyl-2-(3-methylhex-1-en-2-yl)pyrrolidin-1-amine
PubChem CID146358384
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC NameN-ethenyl-2-(3-methylhex-1-en-2-yl)pyrrolidin-1-amine
SMILESC=CNN1CCCC1C(=C)C(C)CCC
InChIInChI=1S/C13H24N2/c1-5-8-11(3)12(4)13-9-7-10-15(13)14-6-2/h6,11,13-14H,2,4-5,7-10H2,1,3H3
InChIKeyMAPCUSOJJQGKOT-UHFFFAOYSA-N
XLogP3.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-ethenyl-2-(3-methylhex-1-en-2-yl)pyrrolidin-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

4-Ethyl-1-methyl-3-(3-methylbut-3-enyl)pyrazolidine
CID 156193881
3-Heptan-3-yl-2,4-dimethyl-1,3-dihydropyrazole
CID 166834566
(Z)-1-(2-ethylhydrazinyl)-5-pyrrolidin-3-ylpent-1-en-3-amine
CID 166932476
2-Methyl-5-nonan-4-yl-1,5-dihydropyrazole
CID 168921752
3-Methyl-2-(5-methylhexan-2-yl)-1,3-dihydropyrazole
CID 175944424

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-2-(3-methylhex-1-en-2-yl)pyrrolidin-1-amine?
The IUPAC name of N-ethenyl-2-(3-methylhex-1-en-2-yl)pyrrolidin-1-amine (CID 146358384) is N-ethenyl-2-(3-methylhex-1-en-2-yl)pyrrolidin-1-amine.
What is the SMILES notation for N-ethenyl-2-(3-methylhex-1-en-2-yl)pyrrolidin-1-amine?
The canonical SMILES for N-ethenyl-2-(3-methylhex-1-en-2-yl)pyrrolidin-1-amine is C=CNN1CCCC1C(=C)C(C)CCC.
What is the InChIKey of N-ethenyl-2-(3-methylhex-1-en-2-yl)pyrrolidin-1-amine?
The InChIKey is MAPCUSOJJQGKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-5-8-11(3)12(4)13-9-7-10-15(13)14-6-2/h6,11,13-14H,2,4-5,7-10H2,1,3H3.
What are the key properties of N-ethenyl-2-(3-methylhex-1-en-2-yl)pyrrolidin-1-amine?
N-ethenyl-2-(3-methylhex-1-en-2-yl)pyrrolidin-1-amine has a molecular weight of 208.35 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-2-(3-methylhex-1-en-2-yl)pyrrolidin-1-amine is sourced from PubChem (CID 146358384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).