(1E,3E,6Z)-6-ethenyl-3-[N-methyl-C-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]nona-1,3,6,8-tetraene-1,2-diamine

C16H22N4 — CID 134502439

IUPAC(1E,3E,6Z)-6-ethenyl-3-[N-methyl-C-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]nona-1,3,6,8-tetraene-1,2-diamine
SMILESC=C/C=C(\C=C)C/C=C(C(\N)=C/N)/C(/C=C\N=C)=N/C
InChIInChI=1S/C16H22N4/c1-5-7-13(6-2)8-9-14(15(18)12-17)16(20-4)10-11-19-3/h5-7,9-12H,1-3,8,17-18H2,4H3/b11-10-,13-7+,14-9+,15-12+,20-16+
InChIKeyUKUFAKXDENFOPK-YRXPEWCOSA-N
MW270.38 g/mol
LogP2.65
Rot. Bonds8

About (1E,3E,6Z)-6-ethenyl-3-[N-methyl-C-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]nona-1,3,6,8-tetraene-1,2-diamine

(1E,3E,6Z)-6-ethenyl-3-[N-methyl-C-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]nona-1,3,6,8-tetraene-1,2-diamine (PubChem CID 134502439) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is (1E,3E,6Z)-6-ethenyl-3-[N-methyl-C-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]nona-1,3,6,8-tetraene-1,2-diamine.

Molecular Properties

Compound Name(1E,3E,6Z)-6-ethenyl-3-[N-methyl-C-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]nona-1,3,6,8-tetraene-1,2-diamine
PubChem CID134502439
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name(1E,3E,6Z)-6-ethenyl-3-[N-methyl-C-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]nona-1,3,6,8-tetraene-1,2-diamine
SMILESC=C/C=C(\C=C)C/C=C(C(\N)=C/N)/C(/C=C\N=C)=N/C
InChIInChI=1S/C16H22N4/c1-5-7-13(6-2)8-9-14(15(18)12-17)16(20-4)10-11-19-3/h5-7,9-12H,1-3,8,17-18H2,4H3/b11-10-,13-7+,14-9+,15-12+,20-16+
InChIKeyUKUFAKXDENFOPK-YRXPEWCOSA-N
XLogP2.65
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 121321882
(3E)-3-fluoro-4-[[(5Z)-6-methyl-3-methylidene-4-propan-2-ylideneocta-5,7-dien-2-ylidene]amino]buta-1,3-dien-2-amine
CID 130336733
(2E)-N-[(4E)-5-[[(3E)-3,5-dimethylhexa-3,5-dien-2-ylidene]amino]-4-methylpenta-1,4-dien-2-yl]-2-ethenyl-4-fluoropenta-2,4-dien-1-amine
CID 137465231
(2E)-2-ethenyl-4-fluoro-N-[(4E)-4-methyl-5-[[(E)-3-methylpent-3-en-2-ylidene]amino]penta-1,4-dien-2-yl]penta-2,4-dien-1-amine
CID 137465238
(1Z,3Z,7E,9Z)-7-(dimethyl-lambda3-iodanyl)-9-(ethylideneamino)-8-(1-fluoroethenyl)-6-imino-3-methylundeca-1,3,7,9-tetraen-1-amine
CID 163707955
(1Z,3E)-4-(2H-azirin-3-yl)hexa-1,3,5-trien-1-amine
CID 89089063
(4E,7Z)-5-methyl-8-N,6-dimethylideneocta-4,7-diene-3,8-diimine
CID 90943080
[3-(3-Methylbut-2-enylidene)-2-propylidene-4-pyridinyl]methanamine
CID 90974862
(3Z,5E)-N-[(3Z,5E)-5-ethenylocta-3,5-dien-4-yl]-N'-prop-2-enylidenehexa-3,5-diene-1,6-diimine
CID 118616228
(4E,6E)-3-N-ethyl-2,6-dimethyl-4-N-propan-2-ylidenenona-1,4,6,8-tetraene-3,4-diimine
CID 123885176
(4E,6E,8Z)-5,6,9-trimethyl-8-[(propan-2-ylideneamino)methylidene]deca-4,6,9-trien-3-imine
CID 123989743
(3E)-5-methylidene-4-(methylideneamino)-2-prop-2-enyliminohepta-3,6-dien-3-amine
CID 126593773

Frequently Asked Questions

What is the IUPAC name of (1E,3E,6Z)-6-ethenyl-3-[N-methyl-C-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]nona-1,3,6,8-tetraene-1,2-diamine?
The IUPAC name of (1E,3E,6Z)-6-ethenyl-3-[N-methyl-C-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]nona-1,3,6,8-tetraene-1,2-diamine (CID 134502439) is (1E,3E,6Z)-6-ethenyl-3-[N-methyl-C-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]nona-1,3,6,8-tetraene-1,2-diamine.
What is the SMILES notation for (1E,3E,6Z)-6-ethenyl-3-[N-methyl-C-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]nona-1,3,6,8-tetraene-1,2-diamine?
The canonical SMILES for (1E,3E,6Z)-6-ethenyl-3-[N-methyl-C-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]nona-1,3,6,8-tetraene-1,2-diamine is C=C/C=C(\C=C)C/C=C(C(\N)=C/N)/C(/C=C\N=C)=N/C.
What is the InChIKey of (1E,3E,6Z)-6-ethenyl-3-[N-methyl-C-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]nona-1,3,6,8-tetraene-1,2-diamine?
The InChIKey is UKUFAKXDENFOPK-YRXPEWCOSA-N. The full InChI is InChI=1S/C16H22N4/c1-5-7-13(6-2)8-9-14(15(18)12-17)16(20-4)10-11-19-3/h5-7,9-12H,1-3,8,17-18H2,4H3/b11-10-,13-7+,14-9+,15-12+,20-16+.
What are the key properties of (1E,3E,6Z)-6-ethenyl-3-[N-methyl-C-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]nona-1,3,6,8-tetraene-1,2-diamine?
(1E,3E,6Z)-6-ethenyl-3-[N-methyl-C-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]nona-1,3,6,8-tetraene-1,2-diamine has a molecular weight of 270.38 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E,6Z)-6-ethenyl-3-[N-methyl-C-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]nona-1,3,6,8-tetraene-1,2-diamine is sourced from PubChem (CID 134502439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).