(1E,3Z,5Z)-4-propan-2-yl-1-pyrrolidin-1-ylhepta-1,3,5-trien-1-amine

C14H24N2 — CID 155306096

IUPAC(1E,3Z,5Z)-4-propan-2-yl-1-pyrrolidin-1-ylhepta-1,3,5-trien-1-amine
SMILESC/C=C\C(=C/C=C(\N)N1CCCC1)C(C)C
InChIInChI=1S/C14H24N2/c1-4-7-13(12(2)3)8-9-14(15)16-10-5-6-11-16/h4,7-9,12H,5-6,10-11,15H2,1-3H3/b7-4-,13-8+,14-9+
InChIKeyUBDVYCKDTHYURB-WKNHKYHLSA-N
MW220.36 g/mol
LogP3.04
Rot. Bonds4

About (1E,3Z,5Z)-4-propan-2-yl-1-pyrrolidin-1-ylhepta-1,3,5-trien-1-amine

(1E,3Z,5Z)-4-propan-2-yl-1-pyrrolidin-1-ylhepta-1,3,5-trien-1-amine (PubChem CID 155306096) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is (1E,3Z,5Z)-4-propan-2-yl-1-pyrrolidin-1-ylhepta-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1E,3Z,5Z)-4-propan-2-yl-1-pyrrolidin-1-ylhepta-1,3,5-trien-1-amine
PubChem CID155306096
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name(1E,3Z,5Z)-4-propan-2-yl-1-pyrrolidin-1-ylhepta-1,3,5-trien-1-amine
SMILESC/C=C\C(=C/C=C(\N)N1CCCC1)C(C)C
InChIInChI=1S/C14H24N2/c1-4-7-13(12(2)3)8-9-14(15)16-10-5-6-11-16/h4,7-9,12H,5-6,10-11,15H2,1-3H3/b7-4-,13-8+,14-9+
InChIKeyUBDVYCKDTHYURB-WKNHKYHLSA-N
XLogP3.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1E,3Z,5Z)-4-propan-2-yl-1-pyrrolidin-1-ylhepta-1,3,5-trien-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 (1E,3Z,5Z)-4-propan-2-yl-1-pyrrolidin-1-ylhepta-1,3,5-trien-1-amine?
The IUPAC name of (1E,3Z,5Z)-4-propan-2-yl-1-pyrrolidin-1-ylhepta-1,3,5-trien-1-amine (CID 155306096) is (1E,3Z,5Z)-4-propan-2-yl-1-pyrrolidin-1-ylhepta-1,3,5-trien-1-amine.
What is the SMILES notation for (1E,3Z,5Z)-4-propan-2-yl-1-pyrrolidin-1-ylhepta-1,3,5-trien-1-amine?
The canonical SMILES for (1E,3Z,5Z)-4-propan-2-yl-1-pyrrolidin-1-ylhepta-1,3,5-trien-1-amine is C/C=C\C(=C/C=C(\N)N1CCCC1)C(C)C.
What is the InChIKey of (1E,3Z,5Z)-4-propan-2-yl-1-pyrrolidin-1-ylhepta-1,3,5-trien-1-amine?
The InChIKey is UBDVYCKDTHYURB-WKNHKYHLSA-N. The full InChI is InChI=1S/C14H24N2/c1-4-7-13(12(2)3)8-9-14(15)16-10-5-6-11-16/h4,7-9,12H,5-6,10-11,15H2,1-3H3/b7-4-,13-8+,14-9+.
What are the key properties of (1E,3Z,5Z)-4-propan-2-yl-1-pyrrolidin-1-ylhepta-1,3,5-trien-1-amine?
(1E,3Z,5Z)-4-propan-2-yl-1-pyrrolidin-1-ylhepta-1,3,5-trien-1-amine has a molecular weight of 220.36 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z,5Z)-4-propan-2-yl-1-pyrrolidin-1-ylhepta-1,3,5-trien-1-amine is sourced from PubChem (CID 155306096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).