(2Z,3E,5Z)-4-(cyclohexa-1,5-dien-1-ylmethoxy)-2-propylidenehepta-3,5-dien-1-amine

C17H25NO — CID 156818680

IUPAC(2Z,3E,5Z)-4-(cyclohexa-1,5-dien-1-ylmethoxy)-2-propylidenehepta-3,5-dien-1-amine
SMILESC/C=C\C(=C/C(=C/CC)CN)OCC1=CCCC=C1
InChIInChI=1S/C17H25NO/c1-3-8-16(13-18)12-17(9-4-2)19-14-15-10-6-5-7-11-15/h4,6,8-12H,3,5,7,13-14,18H2,1-2H3/b9-4-,16-8-,17-12+
InChIKeyZEBPEQBZQSXCLU-VZOKBWMASA-N
MW259.39 g/mol
LogP4.03
Rot. Bonds7

About (2Z,3E,5Z)-4-(cyclohexa-1,5-dien-1-ylmethoxy)-2-propylidenehepta-3,5-dien-1-amine

(2Z,3E,5Z)-4-(cyclohexa-1,5-dien-1-ylmethoxy)-2-propylidenehepta-3,5-dien-1-amine (PubChem CID 156818680) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is (2Z,3E,5Z)-4-(cyclohexa-1,5-dien-1-ylmethoxy)-2-propylidenehepta-3,5-dien-1-amine.

Molecular Properties

Compound Name(2Z,3E,5Z)-4-(cyclohexa-1,5-dien-1-ylmethoxy)-2-propylidenehepta-3,5-dien-1-amine
PubChem CID156818680
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name(2Z,3E,5Z)-4-(cyclohexa-1,5-dien-1-ylmethoxy)-2-propylidenehepta-3,5-dien-1-amine
SMILESC/C=C\C(=C/C(=C/CC)CN)OCC1=CCCC=C1
InChIInChI=1S/C17H25NO/c1-3-8-16(13-18)12-17(9-4-2)19-14-15-10-6-5-7-11-15/h4,6,8-12H,3,5,7,13-14,18H2,1-2H3/b9-4-,16-8-,17-12+
InChIKeyZEBPEQBZQSXCLU-VZOKBWMASA-N
XLogP4.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2Z,3E,5Z)-4-(cyclohexa-1,5-dien-1-ylmethoxy)-2-propylidenehepta-3,5-dien-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 (2Z,3E,5Z)-4-(cyclohexa-1,5-dien-1-ylmethoxy)-2-propylidenehepta-3,5-dien-1-amine?
The IUPAC name of (2Z,3E,5Z)-4-(cyclohexa-1,5-dien-1-ylmethoxy)-2-propylidenehepta-3,5-dien-1-amine (CID 156818680) is (2Z,3E,5Z)-4-(cyclohexa-1,5-dien-1-ylmethoxy)-2-propylidenehepta-3,5-dien-1-amine.
What is the SMILES notation for (2Z,3E,5Z)-4-(cyclohexa-1,5-dien-1-ylmethoxy)-2-propylidenehepta-3,5-dien-1-amine?
The canonical SMILES for (2Z,3E,5Z)-4-(cyclohexa-1,5-dien-1-ylmethoxy)-2-propylidenehepta-3,5-dien-1-amine is C/C=C\C(=C/C(=C/CC)CN)OCC1=CCCC=C1.
What is the InChIKey of (2Z,3E,5Z)-4-(cyclohexa-1,5-dien-1-ylmethoxy)-2-propylidenehepta-3,5-dien-1-amine?
The InChIKey is ZEBPEQBZQSXCLU-VZOKBWMASA-N. The full InChI is InChI=1S/C17H25NO/c1-3-8-16(13-18)12-17(9-4-2)19-14-15-10-6-5-7-11-15/h4,6,8-12H,3,5,7,13-14,18H2,1-2H3/b9-4-,16-8-,17-12+.
What are the key properties of (2Z,3E,5Z)-4-(cyclohexa-1,5-dien-1-ylmethoxy)-2-propylidenehepta-3,5-dien-1-amine?
(2Z,3E,5Z)-4-(cyclohexa-1,5-dien-1-ylmethoxy)-2-propylidenehepta-3,5-dien-1-amine has a molecular weight of 259.39 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3E,5Z)-4-(cyclohexa-1,5-dien-1-ylmethoxy)-2-propylidenehepta-3,5-dien-1-amine is sourced from PubChem (CID 156818680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).