(1Z,3Z)-2-ethyl-5-pyrrolidin-1-ylhexa-1,3,5-trien-1-amine

C12H20N2 — CID 88931597

IUPAC(1Z,3Z)-2-ethyl-5-pyrrolidin-1-ylhexa-1,3,5-trien-1-amine
SMILESC=C(/C=C\C(=C/N)CC)N1CCCC1
InChIInChI=1S/C12H20N2/c1-3-12(10-13)7-6-11(2)14-8-4-5-9-14/h6-7,10H,2-5,8-9,13H2,1H3/b7-6-,12-10-
InChIKeyQZQFRXOSZOWVJW-CEHXRRPISA-N
MW192.31 g/mol
LogP2.40
Rot. Bonds4

About (1Z,3Z)-2-ethyl-5-pyrrolidin-1-ylhexa-1,3,5-trien-1-amine

(1Z,3Z)-2-ethyl-5-pyrrolidin-1-ylhexa-1,3,5-trien-1-amine (PubChem CID 88931597) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is (1Z,3Z)-2-ethyl-5-pyrrolidin-1-ylhexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-2-ethyl-5-pyrrolidin-1-ylhexa-1,3,5-trien-1-amine
PubChem CID88931597
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name(1Z,3Z)-2-ethyl-5-pyrrolidin-1-ylhexa-1,3,5-trien-1-amine
SMILESC=C(/C=C\C(=C/N)CC)N1CCCC1
InChIInChI=1S/C12H20N2/c1-3-12(10-13)7-6-11(2)14-8-4-5-9-14/h6-7,10H,2-5,8-9,13H2,1H3/b7-6-,12-10-
InChIKeyQZQFRXOSZOWVJW-CEHXRRPISA-N
XLogP2.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1Z,3Z)-2-ethyl-5-pyrrolidin-1-ylhexa-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 (1Z,3Z)-2-ethyl-5-pyrrolidin-1-ylhexa-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3Z)-2-ethyl-5-pyrrolidin-1-ylhexa-1,3,5-trien-1-amine (CID 88931597) is (1Z,3Z)-2-ethyl-5-pyrrolidin-1-ylhexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3Z)-2-ethyl-5-pyrrolidin-1-ylhexa-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3Z)-2-ethyl-5-pyrrolidin-1-ylhexa-1,3,5-trien-1-amine is C=C(/C=C\C(=C/N)CC)N1CCCC1.
What is the InChIKey of (1Z,3Z)-2-ethyl-5-pyrrolidin-1-ylhexa-1,3,5-trien-1-amine?
The InChIKey is QZQFRXOSZOWVJW-CEHXRRPISA-N. The full InChI is InChI=1S/C12H20N2/c1-3-12(10-13)7-6-11(2)14-8-4-5-9-14/h6-7,10H,2-5,8-9,13H2,1H3/b7-6-,12-10-.
What are the key properties of (1Z,3Z)-2-ethyl-5-pyrrolidin-1-ylhexa-1,3,5-trien-1-amine?
(1Z,3Z)-2-ethyl-5-pyrrolidin-1-ylhexa-1,3,5-trien-1-amine has a molecular weight of 192.31 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-2-ethyl-5-pyrrolidin-1-ylhexa-1,3,5-trien-1-amine is sourced from PubChem (CID 88931597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).