N-ethyl-1-hepta-3,5-dienylpyrrolidin-3-amine

C13H24N2 — CID 123206508

IUPACN-ethyl-1-hepta-3,5-dienylpyrrolidin-3-amine
SMILESCC=CC=CCCN1CCC(NCC)C1
InChIInChI=1S/C13H24N2/c1-3-5-6-7-8-10-15-11-9-13(12-15)14-4-2/h3,5-7,13-14H,4,8-12H2,1-2H3
InChIKeyLQNMVVHWLNVZAN-UHFFFAOYSA-N
MW208.35 g/mol
LogP2.19
Rot. Bonds6

About N-ethyl-1-hepta-3,5-dienylpyrrolidin-3-amine

N-ethyl-1-hepta-3,5-dienylpyrrolidin-3-amine (PubChem CID 123206508) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is N-ethyl-1-hepta-3,5-dienylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-ethyl-1-hepta-3,5-dienylpyrrolidin-3-amine
PubChem CID123206508
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC NameN-ethyl-1-hepta-3,5-dienylpyrrolidin-3-amine
SMILESCC=CC=CCCN1CCC(NCC)C1
InChIInChI=1S/C13H24N2/c1-3-5-6-7-8-10-15-11-9-13(12-15)14-4-2/h3,5-7,13-14H,4,8-12H2,1-2H3
InChIKeyLQNMVVHWLNVZAN-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethyl-1-hepta-3,5-dienylpyrrolidin-3-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

6-[(3-Fluoropyrrolidin-1-yl)methyl]-2-methyl-1,2-dihydropyridine
CID 90305531
(E)-N-[(4-fluoropyrrolidin-2-yl)methyl]-N-methylpent-3-en-1-amine
CID 172335323
1-[2-(4-Fluorocyclohexa-1,5-dien-1-yl)ethyl]pyrrolidin-3-amine
CID 142337278
N-methyl-6-pyrrolidin-1-ylcyclohex-3-en-1-amine
CID 13606281
(1R,6R)-N-methyl-6-pyrrolidin-1-ylcyclohex-3-en-1-amine
CID 13606282
N-but-3-enyl-1-methylpyrrolidin-3-amine
CID 64315358
2-(1,2-Dihydropyridin-3-yl)-2-pyrrolidin-1-ylethanamine
CID 70334328
1-[[4-(2-aminoethyl)cyclohexa-2,4-dien-1-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 70920211
(3S)-1-but-3-enylpyrrolidin-3-amine
CID 81492577
(5Z,7Z)-2-pyrrolidin-1-ylnona-5,7-dien-1-amine
CID 88274871
(4Z,6Z)-3-methylidene-1-pyrrolidin-1-ylocta-4,6-dien-2-amine
CID 88274876
1-(Cyclohexa-1,5-dien-1-ylmethyl)pyrrolidin-3-amine
CID 89153723

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-hepta-3,5-dienylpyrrolidin-3-amine?
The IUPAC name of N-ethyl-1-hepta-3,5-dienylpyrrolidin-3-amine (CID 123206508) is N-ethyl-1-hepta-3,5-dienylpyrrolidin-3-amine.
What is the SMILES notation for N-ethyl-1-hepta-3,5-dienylpyrrolidin-3-amine?
The canonical SMILES for N-ethyl-1-hepta-3,5-dienylpyrrolidin-3-amine is CC=CC=CCCN1CCC(NCC)C1.
What is the InChIKey of N-ethyl-1-hepta-3,5-dienylpyrrolidin-3-amine?
The InChIKey is LQNMVVHWLNVZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-3-5-6-7-8-10-15-11-9-13(12-15)14-4-2/h3,5-7,13-14H,4,8-12H2,1-2H3.
What are the key properties of N-ethyl-1-hepta-3,5-dienylpyrrolidin-3-amine?
N-ethyl-1-hepta-3,5-dienylpyrrolidin-3-amine has a molecular weight of 208.35 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-hepta-3,5-dienylpyrrolidin-3-amine is sourced from PubChem (CID 123206508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).