(3E,4Z,7Z)-N-but-1-en-2-yl-5-ethenyl-3-ethylidene-7-[(ethylideneamino)methylidene]nona-4,8-dien-2-amine

C20H30N2 — CID 142901966

IUPAC(3E,4Z,7Z)-N-but-1-en-2-yl-5-ethenyl-3-ethylidene-7-[(ethylideneamino)methylidene]nona-4,8-dien-2-amine
SMILESC=C/C(=C\N=C\C)C/C(C=C)=C/C(=C\C)C(C)NC(=C)CC
InChIInChI=1S/C20H30N2/c1-8-16(6)22-17(7)20(11-4)14-18(9-2)13-19(10-3)15-21-12-5/h9-12,14-15,17,22H,2-3,6,8,13H2,1,4-5,7H3/b18-14+,19-15+,20-11+,21-12+
InChIKeyKFWINGZKLLWMRN-RVFQMQHOSA-N
MW298.47 g/mol
LogP5.50
Rot. Bonds10

About (3E,4Z,7Z)-N-but-1-en-2-yl-5-ethenyl-3-ethylidene-7-[(ethylideneamino)methylidene]nona-4,8-dien-2-amine

(3E,4Z,7Z)-N-but-1-en-2-yl-5-ethenyl-3-ethylidene-7-[(ethylideneamino)methylidene]nona-4,8-dien-2-amine (PubChem CID 142901966) has the molecular formula C20H30N2 and a molecular weight of 298.47 g/mol. Its IUPAC name is (3E,4Z,7Z)-N-but-1-en-2-yl-5-ethenyl-3-ethylidene-7-[(ethylideneamino)methylidene]nona-4,8-dien-2-amine.

Molecular Properties

Compound Name(3E,4Z,7Z)-N-but-1-en-2-yl-5-ethenyl-3-ethylidene-7-[(ethylideneamino)methylidene]nona-4,8-dien-2-amine
PubChem CID142901966
Molecular FormulaC20H30N2
Molecular Weight298.47 g/mol
Exact Mass298.24
IUPAC Name(3E,4Z,7Z)-N-but-1-en-2-yl-5-ethenyl-3-ethylidene-7-[(ethylideneamino)methylidene]nona-4,8-dien-2-amine
SMILESC=C/C(=C\N=C\C)C/C(C=C)=C/C(=C\C)C(C)NC(=C)CC
InChIInChI=1S/C20H30N2/c1-8-16(6)22-17(7)20(11-4)14-18(9-2)13-19(10-3)15-21-12-5/h9-12,14-15,17,22H,2-3,6,8,13H2,1,4-5,7H3/b18-14+,19-15+,20-11+,21-12+
InChIKeyKFWINGZKLLWMRN-RVFQMQHOSA-N
XLogP5.50
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.47
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3E,4Z,7Z)-N-but-1-en-2-yl-5-ethenyl-3-ethylidene-7-[(ethylideneamino)methylidene]nona-4,8-dien-2-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

(2E)-N-ethenyl-2-[3-[(8Z)-8-ethylidene-2,7-dimethyl-2,3-dihydro-1H-1,4-diazocin-6-yl]-4-fluorocyclohexa-2,4-dien-1-ylidene]ethanimine
CID 173841405
(3Z,4E,5Z)-4-ethylidene-N-[[(5E)-8-fluoro-2-methylcycloocta-1,5,7-trien-1-yl]methyl]-3-[(methylideneamino)methylidene]hepta-1,5-dien-2-amine
CID 174005822
(E)-2-but-1-enyl-N-[(4Z)-4-[(ethylideneamino)methylidene]-3-methylidenehex-1-en-2-yl]-5-fluoro-4-methylidenehex-2-en-1-amine
CID 143342084
(4Z,7E)-4-ethyl-5-(ethylideneamino)-2-N-[(4-fluoro-3-methylcyclohepta-1,3,5-trien-1-yl)methyl]-3-methylidenenona-1,4,7-triene-2,7-diamine
CID 143343651
5-Methyl-6,8a-dihydro-1,6-naphthyridine
CID 67593832
2-(2,5-Dihydropyridin-4-yl)-1,2-dihydropyridine
CID 68653775
2-prop-1-en-2-yl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine
CID 69190251
(3Z,5E)-N,4,6-trimethyl-9-methyliminonona-3,5-dien-5-amine
CID 89390271
1,2,8,8a-Tetrahydro-1,6-naphthyridine
CID 91065138
[4-Ethyl-5-methylimino-11-(prop-2-enylamino)trideca-3,7,10,12-tetraen-3-yl]-methyl-methylideneazanium
CID 91589718
N-[(1Z)-1-[(5Z)-5-ethylidene-1,2-dihydropyridin-6-ylidene]ethyl]butan-1-imine
CID 118124176
1-(4-ethyl-3H-azepin-6-yl)-N-methylethanamine
CID 123236699

Frequently Asked Questions

What is the IUPAC name of (3E,4Z,7Z)-N-but-1-en-2-yl-5-ethenyl-3-ethylidene-7-[(ethylideneamino)methylidene]nona-4,8-dien-2-amine?
The IUPAC name of (3E,4Z,7Z)-N-but-1-en-2-yl-5-ethenyl-3-ethylidene-7-[(ethylideneamino)methylidene]nona-4,8-dien-2-amine (CID 142901966) is (3E,4Z,7Z)-N-but-1-en-2-yl-5-ethenyl-3-ethylidene-7-[(ethylideneamino)methylidene]nona-4,8-dien-2-amine.
What is the SMILES notation for (3E,4Z,7Z)-N-but-1-en-2-yl-5-ethenyl-3-ethylidene-7-[(ethylideneamino)methylidene]nona-4,8-dien-2-amine?
The canonical SMILES for (3E,4Z,7Z)-N-but-1-en-2-yl-5-ethenyl-3-ethylidene-7-[(ethylideneamino)methylidene]nona-4,8-dien-2-amine is C=C/C(=C\N=C\C)C/C(C=C)=C/C(=C\C)C(C)NC(=C)CC.
What is the InChIKey of (3E,4Z,7Z)-N-but-1-en-2-yl-5-ethenyl-3-ethylidene-7-[(ethylideneamino)methylidene]nona-4,8-dien-2-amine?
The InChIKey is KFWINGZKLLWMRN-RVFQMQHOSA-N. The full InChI is InChI=1S/C20H30N2/c1-8-16(6)22-17(7)20(11-4)14-18(9-2)13-19(10-3)15-21-12-5/h9-12,14-15,17,22H,2-3,6,8,13H2,1,4-5,7H3/b18-14+,19-15+,20-11+,21-12+.
What are the key properties of (3E,4Z,7Z)-N-but-1-en-2-yl-5-ethenyl-3-ethylidene-7-[(ethylideneamino)methylidene]nona-4,8-dien-2-amine?
(3E,4Z,7Z)-N-but-1-en-2-yl-5-ethenyl-3-ethylidene-7-[(ethylideneamino)methylidene]nona-4,8-dien-2-amine has a molecular weight of 298.47 g/mol, XLogP of 5.50, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4Z,7Z)-N-but-1-en-2-yl-5-ethenyl-3-ethylidene-7-[(ethylideneamino)methylidene]nona-4,8-dien-2-amine is sourced from PubChem (CID 142901966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).