(2E,4Z,6E,7Z)-6-ethylidene-4-[(3E)-hexa-1,3-dien-3-yl]-7-methanimidoyl-N,9-dimethylundeca-2,4,7-trien-2-amine

C22H34N2 — CID 142584339

IUPAC(2E,4Z,6E,7Z)-6-ethylidene-4-[(3E)-hexa-1,3-dien-3-yl]-7-methanimidoyl-N,9-dimethylundeca-2,4,7-trien-2-amine
SMILES[H]/N=C/C(=C\C(C)CC)C(=C/C)/C=C(\C=C(/C)NC)C(/C=C)=C/CC
InChIInChI=1S/C22H34N2/c1-8-12-19(10-3)21(14-18(6)24-7)15-20(11-4)22(16-23)13-17(5)9-2/h10-17,23-24H,3,8-9H2,1-2,4-7H3/b18-14+,19-12+,20-11+,21-15-,22-13+,23-16+
InChIKeyPCDPCRXLIVGDEO-XGISUNHISA-N
MW326.53 g/mol
LogP6.13
Rot. Bonds10

About (2E,4Z,6E,7Z)-6-ethylidene-4-[(3E)-hexa-1,3-dien-3-yl]-7-methanimidoyl-N,9-dimethylundeca-2,4,7-trien-2-amine

(2E,4Z,6E,7Z)-6-ethylidene-4-[(3E)-hexa-1,3-dien-3-yl]-7-methanimidoyl-N,9-dimethylundeca-2,4,7-trien-2-amine (PubChem CID 142584339) has the molecular formula C22H34N2 and a molecular weight of 326.53 g/mol. Its IUPAC name is (2E,4Z,6E,7Z)-6-ethylidene-4-[(3E)-hexa-1,3-dien-3-yl]-7-methanimidoyl-N,9-dimethylundeca-2,4,7-trien-2-amine.

Molecular Properties

Compound Name(2E,4Z,6E,7Z)-6-ethylidene-4-[(3E)-hexa-1,3-dien-3-yl]-7-methanimidoyl-N,9-dimethylundeca-2,4,7-trien-2-amine
PubChem CID142584339
Molecular FormulaC22H34N2
Molecular Weight326.53 g/mol
Exact Mass326.27
IUPAC Name(2E,4Z,6E,7Z)-6-ethylidene-4-[(3E)-hexa-1,3-dien-3-yl]-7-methanimidoyl-N,9-dimethylundeca-2,4,7-trien-2-amine
SMILES[H]/N=C/C(=C\C(C)CC)C(=C/C)/C=C(\C=C(/C)NC)C(/C=C)=C/CC
InChIInChI=1S/C22H34N2/c1-8-12-19(10-3)21(14-18(6)24-7)15-20(11-4)22(16-23)13-17(5)9-2/h10-17,23-24H,3,8-9H2,1-2,4-7H3/b18-14+,19-12+,20-11+,21-15-,22-13+,23-16+
InChIKeyPCDPCRXLIVGDEO-XGISUNHISA-N
XLogP6.13
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.53
LogP ≤ 56.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E,4Z,6E,7Z)-6-ethylidene-4-[(3E)-hexa-1,3-dien-3-yl]-7-methanimidoyl-N,9-dimethylundeca-2,4,7-trien-2-amine with MolForge

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Related Compounds

(4E,6E)-N-[(2E,3E)-2-ethylidene-4-[(2-methylprop-2-enylideneamino)methyl]hexa-3,5-dienyl]-7-fluoro-3,6-dimethylnona-1,4,6,8-tetraen-4-amine
CID 134187539
N-[2-(2,3-dihydropyridin-5-yl)ethyl]-4-methylcyclohexa-1,5-dien-1-amine
CID 89503221
(1E,3Z)-2-[(1E)-buta-1,3-dienyl]-N-[(2E,4Z,7Z)-9-methyl-7-[(Z)-prop-1-enyl]undeca-2,4,7-trien-3-yl]penta-1,3-diene-1,5-diamine
CID 118145653
(3Z)-5,6-bis(ethenyl)-N-methyl-4-(methyliminomethyl)octa-1,3,5,7-tetraen-3-amine
CID 132046352
(2E,4E,6Z)-3-methanimidoyl-N-methylocta-2,4,6-trien-4-amine
CID 132064933
(3E,5Z)-2,3-diethyl-N-methyl-2-[(3E,5Z)-octa-3,5,7-trien-4-yl]octa-3,5-dien-1-imine;N-methylprop-1-en-2-amine
CID 142330018
ethane;(4Z,5E)-5-ethylidene-4-[(Z)-3-methanimidoyl-2-methylidenepent-3-enylidene]-N-methylpyridin-2-amine;2-methylbutane;(3E)-3-methylpenta-1,3-diene
CID 142584047
ethane;(1E,4Z,6Z)-3-[2-methanimidoyl-4-(7-methyl-3H-azepin-6-yl)butylidene]-N-methylocta-1,4,6-trien-1-amine
CID 142939288
ethane;(1Z,4E,6Z,7Z)-5-ethenyl-N-methyl-6-(2-methyliminoethylidene)-3-[(1Z,3Z)-penta-1,3-dienyl]nona-1,4,7-trien-1-amine
CID 143914141
ethane;(3E,5E)-5-methanimidoyl-N-methylhepta-1,3,5-trien-4-amine
CID 144786515
(2Z,4E)-3-methanimidoyl-7-methylocta-2,4-dien-2-amine
CID 144877715
6-methanimidoyl-N,4-dimethylcyclohexa-1,5-dien-1-amine
CID 144950458

Frequently Asked Questions

What is the IUPAC name of (2E,4Z,6E,7Z)-6-ethylidene-4-[(3E)-hexa-1,3-dien-3-yl]-7-methanimidoyl-N,9-dimethylundeca-2,4,7-trien-2-amine?
The IUPAC name of (2E,4Z,6E,7Z)-6-ethylidene-4-[(3E)-hexa-1,3-dien-3-yl]-7-methanimidoyl-N,9-dimethylundeca-2,4,7-trien-2-amine (CID 142584339) is (2E,4Z,6E,7Z)-6-ethylidene-4-[(3E)-hexa-1,3-dien-3-yl]-7-methanimidoyl-N,9-dimethylundeca-2,4,7-trien-2-amine.
What is the SMILES notation for (2E,4Z,6E,7Z)-6-ethylidene-4-[(3E)-hexa-1,3-dien-3-yl]-7-methanimidoyl-N,9-dimethylundeca-2,4,7-trien-2-amine?
The canonical SMILES for (2E,4Z,6E,7Z)-6-ethylidene-4-[(3E)-hexa-1,3-dien-3-yl]-7-methanimidoyl-N,9-dimethylundeca-2,4,7-trien-2-amine is [H]/N=C/C(=C\C(C)CC)C(=C/C)/C=C(\C=C(/C)NC)C(/C=C)=C/CC.
What is the InChIKey of (2E,4Z,6E,7Z)-6-ethylidene-4-[(3E)-hexa-1,3-dien-3-yl]-7-methanimidoyl-N,9-dimethylundeca-2,4,7-trien-2-amine?
The InChIKey is PCDPCRXLIVGDEO-XGISUNHISA-N. The full InChI is InChI=1S/C22H34N2/c1-8-12-19(10-3)21(14-18(6)24-7)15-20(11-4)22(16-23)13-17(5)9-2/h10-17,23-24H,3,8-9H2,1-2,4-7H3/b18-14+,19-12+,20-11+,21-15-,22-13+,23-16+.
What are the key properties of (2E,4Z,6E,7Z)-6-ethylidene-4-[(3E)-hexa-1,3-dien-3-yl]-7-methanimidoyl-N,9-dimethylundeca-2,4,7-trien-2-amine?
(2E,4Z,6E,7Z)-6-ethylidene-4-[(3E)-hexa-1,3-dien-3-yl]-7-methanimidoyl-N,9-dimethylundeca-2,4,7-trien-2-amine has a molecular weight of 326.53 g/mol, XLogP of 6.13, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z,6E,7Z)-6-ethylidene-4-[(3E)-hexa-1,3-dien-3-yl]-7-methanimidoyl-N,9-dimethylundeca-2,4,7-trien-2-amine is sourced from PubChem (CID 142584339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).