(2Z,4Z)-N'-[(3Z)-4-ethylhexa-3,5-dien-3-yl]-4-ethylidene-6-methylnona-2,7,8-trienimidamide

C20H30N2 — CID 176535548

IUPAC(2Z,4Z)-N'-[(3Z)-4-ethylhexa-3,5-dien-3-yl]-4-ethylidene-6-methylnona-2,7,8-trienimidamide
SMILESC=C=CC(C)CC(/C=C\C(N)=N\C(CC)=C(/C=C)CC)=C/C
InChIInChI=1S/C20H30N2/c1-7-12-16(6)15-17(8-2)13-14-20(21)22-19(11-5)18(9-3)10-4/h8-9,12-14,16H,1,3,10-11,15H2,2,4-6H3,(H2,21,22)/b14-13-,17-8+,19-18+
InChIKeyJPXSEFTYUNOGIC-QPAKBAHRSA-N
MW298.47 g/mol
LogP5.47
Rot. Bonds9

About (2Z,4Z)-N'-[(3Z)-4-ethylhexa-3,5-dien-3-yl]-4-ethylidene-6-methylnona-2,7,8-trienimidamide

(2Z,4Z)-N'-[(3Z)-4-ethylhexa-3,5-dien-3-yl]-4-ethylidene-6-methylnona-2,7,8-trienimidamide (PubChem CID 176535548) has the molecular formula C20H30N2 and a molecular weight of 298.47 g/mol. Its IUPAC name is (2Z,4Z)-N'-[(3Z)-4-ethylhexa-3,5-dien-3-yl]-4-ethylidene-6-methylnona-2,7,8-trienimidamide.

Molecular Properties

Compound Name(2Z,4Z)-N'-[(3Z)-4-ethylhexa-3,5-dien-3-yl]-4-ethylidene-6-methylnona-2,7,8-trienimidamide
PubChem CID176535548
Molecular FormulaC20H30N2
Molecular Weight298.47 g/mol
Exact Mass298.24
IUPAC Name(2Z,4Z)-N'-[(3Z)-4-ethylhexa-3,5-dien-3-yl]-4-ethylidene-6-methylnona-2,7,8-trienimidamide
SMILESC=C=CC(C)CC(/C=C\C(N)=N\C(CC)=C(/C=C)CC)=C/C
InChIInChI=1S/C20H30N2/c1-7-12-16(6)15-17(8-2)13-14-20(21)22-19(11-5)18(9-3)10-4/h8-9,12-14,16H,1,3,10-11,15H2,2,4-6H3,(H2,21,22)/b14-13-,17-8+,19-18+
InChIKeyJPXSEFTYUNOGIC-QPAKBAHRSA-N
XLogP5.47
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.47
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

5-methyl-6-[(2Z)-penta-2,4-dien-2-yl]-4-prop-1-en-2-yl-3,4-dihydropyridin-2-amine
CID 89199424
N'-methyl-N-(2-methylcyclohepta-1,4,6-trien-1-yl)-2-(6-methylcyclohexa-2,4-dien-1-ylidene)ethanimidamide
CID 90949376
N'-(1,6-dimethyl-5,6-dihydro-4aH-benzo[7]annulen-3-yl)ethanimidamide
CID 123342243
4-ethyl-2,5-dimethyl-4H-azepin-7-amine
CID 123748203
(2E,5Z,6Z)-2-amino-3-ethenyl-5-ethylidene-N'-methylocta-2,6-dienimidamide
CID 126676681
4-ethenyl-7-[(1E,3Z)-2-(4-ethenylcyclohexa-1,5-dien-1-yl)penta-1,3-dienyl]-3H-azepin-2-amine
CID 129058528
N'-[(3Z,5E,6Z)-5-prop-2-enylidenenona-1,3,6,8-tetraen-4-yl]ethanimidamide
CID 130472311
N'-[(3Z,5E,6Z)-5-ethylidenenona-1,3,6,8-tetraen-4-yl]prop-2-enimidamide
CID 134444275
N'-[(3Z,5E,6Z)-5-ethylideneocta-1,3,6-trien-4-yl]prop-2-enimidamide
CID 134444323
N'-[(2Z)-3-methyl-4-methylideneocta-2,5-dien-2-yl]ethanimidamide
CID 138473649
7-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5,6-dimethyl-4-propan-2-yl-5H-1,3-diazepin-2-amine
CID 138567401
2-methyl-N'-[(3E,5Z)-6,7,9-trimethyl-8-methylidene-4-[(Z)-prop-1-enyl]deca-1,3,5-trien-5-yl]butanimidamide
CID 138567426

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-N'-[(3Z)-4-ethylhexa-3,5-dien-3-yl]-4-ethylidene-6-methylnona-2,7,8-trienimidamide?
The IUPAC name of (2Z,4Z)-N'-[(3Z)-4-ethylhexa-3,5-dien-3-yl]-4-ethylidene-6-methylnona-2,7,8-trienimidamide (CID 176535548) is (2Z,4Z)-N'-[(3Z)-4-ethylhexa-3,5-dien-3-yl]-4-ethylidene-6-methylnona-2,7,8-trienimidamide.
What is the SMILES notation for (2Z,4Z)-N'-[(3Z)-4-ethylhexa-3,5-dien-3-yl]-4-ethylidene-6-methylnona-2,7,8-trienimidamide?
The canonical SMILES for (2Z,4Z)-N'-[(3Z)-4-ethylhexa-3,5-dien-3-yl]-4-ethylidene-6-methylnona-2,7,8-trienimidamide is C=C=CC(C)CC(/C=C\C(N)=N\C(CC)=C(/C=C)CC)=C/C.
What is the InChIKey of (2Z,4Z)-N'-[(3Z)-4-ethylhexa-3,5-dien-3-yl]-4-ethylidene-6-methylnona-2,7,8-trienimidamide?
The InChIKey is JPXSEFTYUNOGIC-QPAKBAHRSA-N. The full InChI is InChI=1S/C20H30N2/c1-7-12-16(6)15-17(8-2)13-14-20(21)22-19(11-5)18(9-3)10-4/h8-9,12-14,16H,1,3,10-11,15H2,2,4-6H3,(H2,21,22)/b14-13-,17-8+,19-18+.
What are the key properties of (2Z,4Z)-N'-[(3Z)-4-ethylhexa-3,5-dien-3-yl]-4-ethylidene-6-methylnona-2,7,8-trienimidamide?
(2Z,4Z)-N'-[(3Z)-4-ethylhexa-3,5-dien-3-yl]-4-ethylidene-6-methylnona-2,7,8-trienimidamide has a molecular weight of 298.47 g/mol, XLogP of 5.47, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-N'-[(3Z)-4-ethylhexa-3,5-dien-3-yl]-4-ethylidene-6-methylnona-2,7,8-trienimidamide is sourced from PubChem (CID 176535548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).