(3Z)-3-(dimethylamino)-5-ethenylimino-6-[[(2E,4E)-2-ethyl-4,5,8,8-tetramethyl-6-methylidenenona-2,4-dienyl]amino]-2,2-dimethylhepta-3,6-dienenitrile

C29H46N4 — CID 143342627

IUPAC(3Z)-3-(dimethylamino)-5-ethenylimino-6-[[(2E,4E)-2-ethyl-4,5,8,8-tetramethyl-6-methylidenenona-2,4-dienyl]amino]-2,2-dimethylhepta-3,6-dienenitrile
SMILESC=C/N=C(/C=C(\N(C)C)C(C)(C)C#N)C(=C)NC/C(=C/C(C)=C(\C)C(=C)CC(C)(C)C)CC
InChIInChI=1S/C29H46N4/c1-14-25(16-21(3)23(5)22(4)18-28(7,8)9)19-32-24(6)26(31-15-2)17-27(33(12)13)29(10,11)20-30/h15-17,32H,2,4,6,14,18-19H2,1,3,5,7-13H3/b23-21+,25-16+,27-17-,31-26-
InChIKeyAOBDFDFVGRTEIZ-YPOKUIKDSA-N
MW450.72 g/mol
LogP7.33
Rot. Bonds12

About (3Z)-3-(dimethylamino)-5-ethenylimino-6-[[(2E,4E)-2-ethyl-4,5,8,8-tetramethyl-6-methylidenenona-2,4-dienyl]amino]-2,2-dimethylhepta-3,6-dienenitrile

(3Z)-3-(dimethylamino)-5-ethenylimino-6-[[(2E,4E)-2-ethyl-4,5,8,8-tetramethyl-6-methylidenenona-2,4-dienyl]amino]-2,2-dimethylhepta-3,6-dienenitrile (PubChem CID 143342627) has the molecular formula C29H46N4 and a molecular weight of 450.72 g/mol. Its IUPAC name is (3Z)-3-(dimethylamino)-5-ethenylimino-6-[[(2E,4E)-2-ethyl-4,5,8,8-tetramethyl-6-methylidenenona-2,4-dienyl]amino]-2,2-dimethylhepta-3,6-dienenitrile.

Molecular Properties

Compound Name(3Z)-3-(dimethylamino)-5-ethenylimino-6-[[(2E,4E)-2-ethyl-4,5,8,8-tetramethyl-6-methylidenenona-2,4-dienyl]amino]-2,2-dimethylhepta-3,6-dienenitrile
PubChem CID143342627
Molecular FormulaC29H46N4
Molecular Weight450.72 g/mol
Exact Mass450.37
IUPAC Name(3Z)-3-(dimethylamino)-5-ethenylimino-6-[[(2E,4E)-2-ethyl-4,5,8,8-tetramethyl-6-methylidenenona-2,4-dienyl]amino]-2,2-dimethylhepta-3,6-dienenitrile
SMILESC=C/N=C(/C=C(\N(C)C)C(C)(C)C#N)C(=C)NC/C(=C/C(C)=C(\C)C(=C)CC(C)(C)C)CC
InChIInChI=1S/C29H46N4/c1-14-25(16-21(3)23(5)22(4)18-28(7,8)9)19-32-24(6)26(31-15-2)17-27(33(12)13)29(10,11)20-30/h15-17,32H,2,4,6,14,18-19H2,1,3,5,7-13H3/b23-21+,25-16+,27-17-,31-26-
InChIKeyAOBDFDFVGRTEIZ-YPOKUIKDSA-N
XLogP7.33
TPSA51.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.72
LogP ≤ 57.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3Z)-3-(dimethylamino)-5-ethenylimino-6-[[(2E,4E)-2-ethyl-4,5,8,8-tetramethyl-6-methylidenenona-2,4-dienyl]amino]-2,2-dimethylhepta-3,6-dienenitrile with MolForge

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Related Compounds

(2E,4E)-5-[2-(4,4-dimethylpent-1-en-2-ylamino)propylamino]-4-methyl-2-[(Z)-1-[[(7E)-3-[methyl-[(Z)-prop-1-enyl]amino]-2-propyl-3,6-dihydroazocin-7-yl]amino]prop-1-enyl]hexa-2,4-dienenitrile
CID 134187554
(3Z)-3-(dimethylamino)-5-ethenylimino-6-[[(2E,4E)-2-ethyl-4,5,8,8-tetramethyl-6-methylidenenona-2,4-dienyl]amino]-2,2-dimethylhepta-3,6-dienenitrile;prop-1-ene
CID 143342626
(Z,6E)-6-but-3-en-2-ylidene-N-[1-[(2E)-1-ethyl-2-(methylaminomethylidene)-6-prop-1-en-2-ylpyrimidin-4-yl]ethenyl]-9,9-dimethyl-7-methylidenedec-4-en-2-amine;methanamine;propane
CID 143344958
prop-1-en-2-amine;(3Z,5E)-5,9,9-trimethyl-7-methylidene-N-[(3E)-3-[(E)-2-(methylideneamino)-1-[methyl(2-methylprop-2-enyl)amino]ethenyl]iminopenta-1,4-dien-2-yl]-3-[(Z)-prop-1-enyl]deca-3,5-dien-1-amine
CID 143346546
(2R)-2-[N-[(E)-2-[[(E)-5-[[(3Z)-6,6-dimethyl-5-propan-2-ylhepta-1,3-dien-2-yl]amino]-4-methylhex-2-en-3-yl]amino]prop-1-enyl]-C-methylcarbonimidoyl]-2-ethylpentanenitrile
CID 144363953
(Z,6E)-6-but-3-en-2-ylidene-N-[1-[(2E)-1-ethyl-2-(methylaminomethylidene)-6-prop-1-en-2-ylpyrimidin-4-yl]ethenyl]-9,9-dimethyl-7-methylidenedec-4-en-2-amine
CID 143344959
(3Z,5E)-5,9,9-trimethyl-7-methylidene-N-[(3E)-3-[(E)-2-(methylideneamino)-1-[methyl(2-methylprop-2-enyl)amino]ethenyl]iminopenta-1,4-dien-2-yl]-3-[(Z)-prop-1-enyl]deca-3,5-dien-1-amine
CID 143346547
[(3Z,5E,7E,10E)-7-amino-8-[[(E)-but-1-enyl]amino]-5-ethenyl-9,9,10-trimethyltrideca-3,5,7,10-tetraen-2-ylidene]-diethylazanium
CID 145477159

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(dimethylamino)-5-ethenylimino-6-[[(2E,4E)-2-ethyl-4,5,8,8-tetramethyl-6-methylidenenona-2,4-dienyl]amino]-2,2-dimethylhepta-3,6-dienenitrile?
The IUPAC name of (3Z)-3-(dimethylamino)-5-ethenylimino-6-[[(2E,4E)-2-ethyl-4,5,8,8-tetramethyl-6-methylidenenona-2,4-dienyl]amino]-2,2-dimethylhepta-3,6-dienenitrile (CID 143342627) is (3Z)-3-(dimethylamino)-5-ethenylimino-6-[[(2E,4E)-2-ethyl-4,5,8,8-tetramethyl-6-methylidenenona-2,4-dienyl]amino]-2,2-dimethylhepta-3,6-dienenitrile.
What is the SMILES notation for (3Z)-3-(dimethylamino)-5-ethenylimino-6-[[(2E,4E)-2-ethyl-4,5,8,8-tetramethyl-6-methylidenenona-2,4-dienyl]amino]-2,2-dimethylhepta-3,6-dienenitrile?
The canonical SMILES for (3Z)-3-(dimethylamino)-5-ethenylimino-6-[[(2E,4E)-2-ethyl-4,5,8,8-tetramethyl-6-methylidenenona-2,4-dienyl]amino]-2,2-dimethylhepta-3,6-dienenitrile is C=C/N=C(/C=C(\N(C)C)C(C)(C)C#N)C(=C)NC/C(=C/C(C)=C(\C)C(=C)CC(C)(C)C)CC.
What is the InChIKey of (3Z)-3-(dimethylamino)-5-ethenylimino-6-[[(2E,4E)-2-ethyl-4,5,8,8-tetramethyl-6-methylidenenona-2,4-dienyl]amino]-2,2-dimethylhepta-3,6-dienenitrile?
The InChIKey is AOBDFDFVGRTEIZ-YPOKUIKDSA-N. The full InChI is InChI=1S/C29H46N4/c1-14-25(16-21(3)23(5)22(4)18-28(7,8)9)19-32-24(6)26(31-15-2)17-27(33(12)13)29(10,11)20-30/h15-17,32H,2,4,6,14,18-19H2,1,3,5,7-13H3/b23-21+,25-16+,27-17-,31-26-.
What are the key properties of (3Z)-3-(dimethylamino)-5-ethenylimino-6-[[(2E,4E)-2-ethyl-4,5,8,8-tetramethyl-6-methylidenenona-2,4-dienyl]amino]-2,2-dimethylhepta-3,6-dienenitrile?
(3Z)-3-(dimethylamino)-5-ethenylimino-6-[[(2E,4E)-2-ethyl-4,5,8,8-tetramethyl-6-methylidenenona-2,4-dienyl]amino]-2,2-dimethylhepta-3,6-dienenitrile has a molecular weight of 450.72 g/mol, XLogP of 7.33, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(dimethylamino)-5-ethenylimino-6-[[(2E,4E)-2-ethyl-4,5,8,8-tetramethyl-6-methylidenenona-2,4-dienyl]amino]-2,2-dimethylhepta-3,6-dienenitrile is sourced from PubChem (CID 143342627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).