(1Z,3E,4E,7Z)-2-(ethylideneamino)-N,5-dimethyl-6-methylidene-9-methylimino-3-propylidenenona-1,4,7-trien-1-amine

C18H27N3 — CID 154948939

IUPAC(1Z,3E,4E,7Z)-2-(ethylideneamino)-N,5-dimethyl-6-methylidene-9-methylimino-3-propylidenenona-1,4,7-trien-1-amine
SMILESC=C(/C=C\C=N\C)/C(C)=C/C(=CCC)C(=C/NC)/N=C/C
InChIInChI=1S/C18H27N3/c1-7-10-17(18(14-20-6)21-8-2)13-16(4)15(3)11-9-12-19-5/h8-14,20H,3,7H2,1-2,4-6H3/b11-9-,16-13+,17-10+,18-14-,19-12+,21-8+
InChIKeyRBOZKHQPGNOYBM-DFEQNEEDSA-N
MW285.44 g/mol
LogP4.23
Rot. Bonds8

About (1Z,3E,4E,7Z)-2-(ethylideneamino)-N,5-dimethyl-6-methylidene-9-methylimino-3-propylidenenona-1,4,7-trien-1-amine

(1Z,3E,4E,7Z)-2-(ethylideneamino)-N,5-dimethyl-6-methylidene-9-methylimino-3-propylidenenona-1,4,7-trien-1-amine (PubChem CID 154948939) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is (1Z,3E,4E,7Z)-2-(ethylideneamino)-N,5-dimethyl-6-methylidene-9-methylimino-3-propylidenenona-1,4,7-trien-1-amine.

Molecular Properties

Compound Name(1Z,3E,4E,7Z)-2-(ethylideneamino)-N,5-dimethyl-6-methylidene-9-methylimino-3-propylidenenona-1,4,7-trien-1-amine
PubChem CID154948939
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name(1Z,3E,4E,7Z)-2-(ethylideneamino)-N,5-dimethyl-6-methylidene-9-methylimino-3-propylidenenona-1,4,7-trien-1-amine
SMILESC=C(/C=C\C=N\C)/C(C)=C/C(=CCC)C(=C/NC)/N=C/C
InChIInChI=1S/C18H27N3/c1-7-10-17(18(14-20-6)21-8-2)13-16(4)15(3)11-9-12-19-5/h8-14,20H,3,7H2,1-2,4-6H3/b11-9-,16-13+,17-10+,18-14-,19-12+,21-8+
InChIKeyRBOZKHQPGNOYBM-DFEQNEEDSA-N
XLogP4.23
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,3E,4E,7Z)-2-(ethylideneamino)-N,5-dimethyl-6-methylidene-9-methylimino-3-propylidenenona-1,4,7-trien-1-amine?
The IUPAC name of (1Z,3E,4E,7Z)-2-(ethylideneamino)-N,5-dimethyl-6-methylidene-9-methylimino-3-propylidenenona-1,4,7-trien-1-amine (CID 154948939) is (1Z,3E,4E,7Z)-2-(ethylideneamino)-N,5-dimethyl-6-methylidene-9-methylimino-3-propylidenenona-1,4,7-trien-1-amine.
What is the SMILES notation for (1Z,3E,4E,7Z)-2-(ethylideneamino)-N,5-dimethyl-6-methylidene-9-methylimino-3-propylidenenona-1,4,7-trien-1-amine?
The canonical SMILES for (1Z,3E,4E,7Z)-2-(ethylideneamino)-N,5-dimethyl-6-methylidene-9-methylimino-3-propylidenenona-1,4,7-trien-1-amine is C=C(/C=C\C=N\C)/C(C)=C/C(=CCC)C(=C/NC)/N=C/C.
What is the InChIKey of (1Z,3E,4E,7Z)-2-(ethylideneamino)-N,5-dimethyl-6-methylidene-9-methylimino-3-propylidenenona-1,4,7-trien-1-amine?
The InChIKey is RBOZKHQPGNOYBM-DFEQNEEDSA-N. The full InChI is InChI=1S/C18H27N3/c1-7-10-17(18(14-20-6)21-8-2)13-16(4)15(3)11-9-12-19-5/h8-14,20H,3,7H2,1-2,4-6H3/b11-9-,16-13+,17-10+,18-14-,19-12+,21-8+.
What are the key properties of (1Z,3E,4E,7Z)-2-(ethylideneamino)-N,5-dimethyl-6-methylidene-9-methylimino-3-propylidenenona-1,4,7-trien-1-amine?
(1Z,3E,4E,7Z)-2-(ethylideneamino)-N,5-dimethyl-6-methylidene-9-methylimino-3-propylidenenona-1,4,7-trien-1-amine has a molecular weight of 285.44 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E,4E,7Z)-2-(ethylideneamino)-N,5-dimethyl-6-methylidene-9-methylimino-3-propylidenenona-1,4,7-trien-1-amine is sourced from PubChem (CID 154948939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).