(E,9Z)-10-(cyclohepta-1,3,5-trien-1-ylmethylideneamino)-9-ethylidene-7-prop-1-enyltridec-10-en-1-amine

C26H40N2 — CID 142402426

IUPAC(E,9Z)-10-(cyclohepta-1,3,5-trien-1-ylmethylideneamino)-9-ethylidene-7-prop-1-enyltridec-10-en-1-amine
SMILESCC=CC(CCCCCCN)CC(=C/C)/C(=C\CC)/N=C/C1=CC=CC=CC1
InChIInChI=1S/C26H40N2/c1-4-15-23(17-11-9-10-14-20-27)21-25(6-3)26(16-5-2)28-22-24-18-12-7-8-13-19-24/h4,6-8,12-13,15-16,18,22-23H,5,9-11,14,17,19-21,27H2,1-3H3/b15-4?,25-6-,26-16+,28-22+
InChIKeyYLLHAJNPHYAPRE-VHAGTUDRSA-N
MW380.62 g/mol
LogP7.23
Rot. Bonds13

About (E,9Z)-10-(cyclohepta-1,3,5-trien-1-ylmethylideneamino)-9-ethylidene-7-prop-1-enyltridec-10-en-1-amine

(E,9Z)-10-(cyclohepta-1,3,5-trien-1-ylmethylideneamino)-9-ethylidene-7-prop-1-enyltridec-10-en-1-amine (PubChem CID 142402426) has the molecular formula C26H40N2 and a molecular weight of 380.62 g/mol. Its IUPAC name is (E,9Z)-10-(cyclohepta-1,3,5-trien-1-ylmethylideneamino)-9-ethylidene-7-prop-1-enyltridec-10-en-1-amine.

Molecular Properties

Compound Name(E,9Z)-10-(cyclohepta-1,3,5-trien-1-ylmethylideneamino)-9-ethylidene-7-prop-1-enyltridec-10-en-1-amine
PubChem CID142402426
Molecular FormulaC26H40N2
Molecular Weight380.62 g/mol
Exact Mass380.32
IUPAC Name(E,9Z)-10-(cyclohepta-1,3,5-trien-1-ylmethylideneamino)-9-ethylidene-7-prop-1-enyltridec-10-en-1-amine
SMILESCC=CC(CCCCCCN)CC(=C/C)/C(=C\CC)/N=C/C1=CC=CC=CC1
InChIInChI=1S/C26H40N2/c1-4-15-23(17-11-9-10-14-20-27)21-25(6-3)26(16-5-2)28-22-24-18-12-7-8-13-19-24/h4,6-8,12-13,15-16,18,22-23H,5,9-11,14,17,19-21,27H2,1-3H3/b15-4?,25-6-,26-16+,28-22+
InChIKeyYLLHAJNPHYAPRE-VHAGTUDRSA-N
XLogP7.23
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.62
LogP ≤ 57.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (E,9Z)-10-(cyclohepta-1,3,5-trien-1-ylmethylideneamino)-9-ethylidene-7-prop-1-enyltridec-10-en-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

2-[2-[1-(3,4-Dihydrobenzo[7]annulen-1-yl)prop-1-enylimino]-3-methylbut-3-enyl]cyclohexan-1-amine
CID 91188452
3,6,6-trimethyl-3-nonan-5-yl-4H-cyclohepta[b]pyridine
CID 123857363
2-[(2Z,3Z)-3-ethyl-2-ethylidene-5-methylhexa-3,5-dienyl]-5-(ethylideneamino)-4,6-dimethylcyclohexa-2,4-dien-1-amine
CID 138646565
(E,9Z)-10-(cyclohepta-1,3,5-trien-1-ylmethylideneamino)-9-ethylidene-7-prop-1-enyltridec-10-en-1-amine;ethane
CID 142402425
3-[[6-[(2R)-2-(cyclohexen-1-yl)butyl]-1-azacyclohepta-1,3,4-trien-3-yl]methyl]-4,5-dihydro-3H-indole
CID 143056595
ethane;(5E)-6-[(4Z)-3-heptan-3-yl-5-methylidene-4-[(Z)-2-methylpent-2-enylidene]-1H-pyrrol-2-yl]-N-methylhexa-2,5-dien-1-imine
CID 143111725
3-[[(2E)-2,8-dimethylundeca-2,10-dienylidene]amino]-N-ethylprop-1-en-2-amine;methanamine
CID 143345133
(6E)-6-[(Z)-but-2-enylidene]-5-methylidene-N-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine;1-[(Z)-[(E)-3,8-dimethyldec-2-enylidene]amino]ethenamine;propane
CID 143604514
ethane;N-[(5Z,6Z,8Z)-3-methylidene-5-[4-methyl-3-(methyliminomethyl)pent-3-en-2-ylidene]deca-1,6,8-trien-2-yl]-1-prop-2-enylcyclohexan-1-amine
CID 143721949
4-Methyl-2-undecan-6-ylazepin-4-amine
CID 145566945
3,3-Dimethyl-4,5,6,7-tetrahydro-1-benzazepin-5-amine
CID 151233475
(2Z,4E,6E,8Z)-6-butan-2-yl-2,4,5-trimethyl-9-N-methylidenetetradeca-2,4,6,8-tetraene-1,9-diimine
CID 155315991

Frequently Asked Questions

What is the IUPAC name of (E,9Z)-10-(cyclohepta-1,3,5-trien-1-ylmethylideneamino)-9-ethylidene-7-prop-1-enyltridec-10-en-1-amine?
The IUPAC name of (E,9Z)-10-(cyclohepta-1,3,5-trien-1-ylmethylideneamino)-9-ethylidene-7-prop-1-enyltridec-10-en-1-amine (CID 142402426) is (E,9Z)-10-(cyclohepta-1,3,5-trien-1-ylmethylideneamino)-9-ethylidene-7-prop-1-enyltridec-10-en-1-amine.
What is the SMILES notation for (E,9Z)-10-(cyclohepta-1,3,5-trien-1-ylmethylideneamino)-9-ethylidene-7-prop-1-enyltridec-10-en-1-amine?
The canonical SMILES for (E,9Z)-10-(cyclohepta-1,3,5-trien-1-ylmethylideneamino)-9-ethylidene-7-prop-1-enyltridec-10-en-1-amine is CC=CC(CCCCCCN)CC(=C/C)/C(=C\CC)/N=C/C1=CC=CC=CC1.
What is the InChIKey of (E,9Z)-10-(cyclohepta-1,3,5-trien-1-ylmethylideneamino)-9-ethylidene-7-prop-1-enyltridec-10-en-1-amine?
The InChIKey is YLLHAJNPHYAPRE-VHAGTUDRSA-N. The full InChI is InChI=1S/C26H40N2/c1-4-15-23(17-11-9-10-14-20-27)21-25(6-3)26(16-5-2)28-22-24-18-12-7-8-13-19-24/h4,6-8,12-13,15-16,18,22-23H,5,9-11,14,17,19-21,27H2,1-3H3/b15-4?,25-6-,26-16+,28-22+.
What are the key properties of (E,9Z)-10-(cyclohepta-1,3,5-trien-1-ylmethylideneamino)-9-ethylidene-7-prop-1-enyltridec-10-en-1-amine?
(E,9Z)-10-(cyclohepta-1,3,5-trien-1-ylmethylideneamino)-9-ethylidene-7-prop-1-enyltridec-10-en-1-amine has a molecular weight of 380.62 g/mol, XLogP of 7.23, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,9Z)-10-(cyclohepta-1,3,5-trien-1-ylmethylideneamino)-9-ethylidene-7-prop-1-enyltridec-10-en-1-amine is sourced from PubChem (CID 142402426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).