(1E,3Z,5Z,7E)-4,7-dimethyl-9-[(E)-4-methyl-3-(methyliminomethyl)pent-2-en-2-yl]iminodeca-1,3,5,7-tetraen-1-amine

C20H31N3 — CID 142946945

IUPAC(1E,3Z,5Z,7E)-4,7-dimethyl-9-[(E)-4-methyl-3-(methyliminomethyl)pent-2-en-2-yl]iminodeca-1,3,5,7-tetraen-1-amine
SMILESC/N=C/C(=C(C)/N=C(C)/C=C(C)/C=C\C(C)=C/C=C/N)C(C)C
InChIInChI=1S/C20H31N3/c1-15(2)20(14-22-7)19(6)23-18(5)13-17(4)11-10-16(3)9-8-12-21/h8-15H,21H2,1-7H3/b11-10-,12-8+,16-9-,17-13+,20-19-,22-14+,23-18+
InChIKeyFEWRJOKBVQFRTN-DGJFDQNSSA-N
MW313.49 g/mol
LogP5.00
Rot. Bonds7

About (1E,3Z,5Z,7E)-4,7-dimethyl-9-[(E)-4-methyl-3-(methyliminomethyl)pent-2-en-2-yl]iminodeca-1,3,5,7-tetraen-1-amine

(1E,3Z,5Z,7E)-4,7-dimethyl-9-[(E)-4-methyl-3-(methyliminomethyl)pent-2-en-2-yl]iminodeca-1,3,5,7-tetraen-1-amine (PubChem CID 142946945) has the molecular formula C20H31N3 and a molecular weight of 313.49 g/mol. Its IUPAC name is (1E,3Z,5Z,7E)-4,7-dimethyl-9-[(E)-4-methyl-3-(methyliminomethyl)pent-2-en-2-yl]iminodeca-1,3,5,7-tetraen-1-amine.

Molecular Properties

Compound Name(1E,3Z,5Z,7E)-4,7-dimethyl-9-[(E)-4-methyl-3-(methyliminomethyl)pent-2-en-2-yl]iminodeca-1,3,5,7-tetraen-1-amine
PubChem CID142946945
Molecular FormulaC20H31N3
Molecular Weight313.49 g/mol
Exact Mass313.25
IUPAC Name(1E,3Z,5Z,7E)-4,7-dimethyl-9-[(E)-4-methyl-3-(methyliminomethyl)pent-2-en-2-yl]iminodeca-1,3,5,7-tetraen-1-amine
SMILESC/N=C/C(=C(C)/N=C(C)/C=C(C)/C=C\C(C)=C/C=C/N)C(C)C
InChIInChI=1S/C20H31N3/c1-15(2)20(14-22-7)19(6)23-18(5)13-17(4)11-10-16(3)9-8-12-21/h8-15H,21H2,1-7H3/b11-10-,12-8+,16-9-,17-13+,20-19-,22-14+,23-18+
InChIKeyFEWRJOKBVQFRTN-DGJFDQNSSA-N
XLogP5.00
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 55.00
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'}

Analyze (1E,3Z,5Z,7E)-4,7-dimethyl-9-[(E)-4-methyl-3-(methyliminomethyl)pent-2-en-2-yl]iminodeca-1,3,5,7-tetraen-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1E,3Z,5Z,7E)-4,7-dimethyl-9-[(E)-4-methyl-3-(methyliminomethyl)pent-2-en-2-yl]iminodeca-1,3,5,7-tetraen-1-amine?
The IUPAC name of (1E,3Z,5Z,7E)-4,7-dimethyl-9-[(E)-4-methyl-3-(methyliminomethyl)pent-2-en-2-yl]iminodeca-1,3,5,7-tetraen-1-amine (CID 142946945) is (1E,3Z,5Z,7E)-4,7-dimethyl-9-[(E)-4-methyl-3-(methyliminomethyl)pent-2-en-2-yl]iminodeca-1,3,5,7-tetraen-1-amine.
What is the SMILES notation for (1E,3Z,5Z,7E)-4,7-dimethyl-9-[(E)-4-methyl-3-(methyliminomethyl)pent-2-en-2-yl]iminodeca-1,3,5,7-tetraen-1-amine?
The canonical SMILES for (1E,3Z,5Z,7E)-4,7-dimethyl-9-[(E)-4-methyl-3-(methyliminomethyl)pent-2-en-2-yl]iminodeca-1,3,5,7-tetraen-1-amine is C/N=C/C(=C(C)/N=C(C)/C=C(C)/C=C\C(C)=C/C=C/N)C(C)C.
What is the InChIKey of (1E,3Z,5Z,7E)-4,7-dimethyl-9-[(E)-4-methyl-3-(methyliminomethyl)pent-2-en-2-yl]iminodeca-1,3,5,7-tetraen-1-amine?
The InChIKey is FEWRJOKBVQFRTN-DGJFDQNSSA-N. The full InChI is InChI=1S/C20H31N3/c1-15(2)20(14-22-7)19(6)23-18(5)13-17(4)11-10-16(3)9-8-12-21/h8-15H,21H2,1-7H3/b11-10-,12-8+,16-9-,17-13+,20-19-,22-14+,23-18+.
What are the key properties of (1E,3Z,5Z,7E)-4,7-dimethyl-9-[(E)-4-methyl-3-(methyliminomethyl)pent-2-en-2-yl]iminodeca-1,3,5,7-tetraen-1-amine?
(1E,3Z,5Z,7E)-4,7-dimethyl-9-[(E)-4-methyl-3-(methyliminomethyl)pent-2-en-2-yl]iminodeca-1,3,5,7-tetraen-1-amine has a molecular weight of 313.49 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z,5Z,7E)-4,7-dimethyl-9-[(E)-4-methyl-3-(methyliminomethyl)pent-2-en-2-yl]iminodeca-1,3,5,7-tetraen-1-amine is sourced from PubChem (CID 142946945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).