N'-[(1Z,4E,7E,9E,11Z)-8-ethenyl-4,11,12-trimethyl-1-(4-prop-2-enylcyclohex-2-en-1-yl)tetradeca-1,4,7,9,11,13-hexaenyl]methanimidamide

C29H40N2 — CID 155273951

IUPACN'-[(1Z,4E,7E,9E,11Z)-8-ethenyl-4,11,12-trimethyl-1-(4-prop-2-enylcyclohex-2-en-1-yl)tetradeca-1,4,7,9,11,13-hexaenyl]methanimidamide
SMILESC=CCC1C=CC(C(=C/C/C(C)=C/C/C=C(C=C)/C=C/C(C)=C(/C)C=C)/N=C/N)CC1
InChIInChI=1S/C29H40N2/c1-7-11-27-17-19-28(20-18-27)29(31-22-30)21-14-23(4)12-10-13-26(9-3)16-15-25(6)24(5)8-2/h7-9,12-13,15-17,19,21-22,27-28H,1-3,10-11,14,18,20H2,4-6H3,(H2,30,31)/b16-15+,23-12+,25-24-,26-13+,29-21-
InChIKeyJPIGJMZAMVZMNK-QDPSAXQTSA-N
MW416.65 g/mol
LogP7.93
Rot. Bonds12

About N'-[(1Z,4E,7E,9E,11Z)-8-ethenyl-4,11,12-trimethyl-1-(4-prop-2-enylcyclohex-2-en-1-yl)tetradeca-1,4,7,9,11,13-hexaenyl]methanimidamide

N'-[(1Z,4E,7E,9E,11Z)-8-ethenyl-4,11,12-trimethyl-1-(4-prop-2-enylcyclohex-2-en-1-yl)tetradeca-1,4,7,9,11,13-hexaenyl]methanimidamide (PubChem CID 155273951) has the molecular formula C29H40N2 and a molecular weight of 416.65 g/mol. Its IUPAC name is N'-[(1Z,4E,7E,9E,11Z)-8-ethenyl-4,11,12-trimethyl-1-(4-prop-2-enylcyclohex-2-en-1-yl)tetradeca-1,4,7,9,11,13-hexaenyl]methanimidamide.

Molecular Properties

Compound NameN'-[(1Z,4E,7E,9E,11Z)-8-ethenyl-4,11,12-trimethyl-1-(4-prop-2-enylcyclohex-2-en-1-yl)tetradeca-1,4,7,9,11,13-hexaenyl]methanimidamide
PubChem CID155273951
Molecular FormulaC29H40N2
Molecular Weight416.65 g/mol
Exact Mass416.32
IUPAC NameN'-[(1Z,4E,7E,9E,11Z)-8-ethenyl-4,11,12-trimethyl-1-(4-prop-2-enylcyclohex-2-en-1-yl)tetradeca-1,4,7,9,11,13-hexaenyl]methanimidamide
SMILESC=CCC1C=CC(C(=C/C/C(C)=C/C/C=C(C=C)/C=C/C(C)=C(/C)C=C)/N=C/N)CC1
InChIInChI=1S/C29H40N2/c1-7-11-27-17-19-28(20-18-27)29(31-22-30)21-14-23(4)12-10-13-26(9-3)16-15-25(6)24(5)8-2/h7-9,12-13,15-17,19,21-22,27-28H,1-3,10-11,14,18,20H2,4-6H3,(H2,30,31)/b16-15+,23-12+,25-24-,26-13+,29-21-
InChIKeyJPIGJMZAMVZMNK-QDPSAXQTSA-N
XLogP7.93
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.65
LogP ≤ 57.93
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N'-[(1Z,4E,7E,9E,11Z)-8-ethenyl-4,11,12-trimethyl-1-(4-prop-2-enylcyclohex-2-en-1-yl)tetradeca-1,4,7,9,11,13-hexaenyl]methanimidamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N'-[(1Z,4E,7E,9E,11Z)-8-ethenyl-4,11,12-trimethyl-1-(4-prop-2-enylcyclohex-2-en-1-yl)tetradeca-1,4,7,9,11,13-hexaenyl]methanimidamide?
The IUPAC name of N'-[(1Z,4E,7E,9E,11Z)-8-ethenyl-4,11,12-trimethyl-1-(4-prop-2-enylcyclohex-2-en-1-yl)tetradeca-1,4,7,9,11,13-hexaenyl]methanimidamide (CID 155273951) is N'-[(1Z,4E,7E,9E,11Z)-8-ethenyl-4,11,12-trimethyl-1-(4-prop-2-enylcyclohex-2-en-1-yl)tetradeca-1,4,7,9,11,13-hexaenyl]methanimidamide.
What is the SMILES notation for N'-[(1Z,4E,7E,9E,11Z)-8-ethenyl-4,11,12-trimethyl-1-(4-prop-2-enylcyclohex-2-en-1-yl)tetradeca-1,4,7,9,11,13-hexaenyl]methanimidamide?
The canonical SMILES for N'-[(1Z,4E,7E,9E,11Z)-8-ethenyl-4,11,12-trimethyl-1-(4-prop-2-enylcyclohex-2-en-1-yl)tetradeca-1,4,7,9,11,13-hexaenyl]methanimidamide is C=CCC1C=CC(C(=C/C/C(C)=C/C/C=C(C=C)/C=C/C(C)=C(/C)C=C)/N=C/N)CC1.
What is the InChIKey of N'-[(1Z,4E,7E,9E,11Z)-8-ethenyl-4,11,12-trimethyl-1-(4-prop-2-enylcyclohex-2-en-1-yl)tetradeca-1,4,7,9,11,13-hexaenyl]methanimidamide?
The InChIKey is JPIGJMZAMVZMNK-QDPSAXQTSA-N. The full InChI is InChI=1S/C29H40N2/c1-7-11-27-17-19-28(20-18-27)29(31-22-30)21-14-23(4)12-10-13-26(9-3)16-15-25(6)24(5)8-2/h7-9,12-13,15-17,19,21-22,27-28H,1-3,10-11,14,18,20H2,4-6H3,(H2,30,31)/b16-15+,23-12+,25-24-,26-13+,29-21-.
What are the key properties of N'-[(1Z,4E,7E,9E,11Z)-8-ethenyl-4,11,12-trimethyl-1-(4-prop-2-enylcyclohex-2-en-1-yl)tetradeca-1,4,7,9,11,13-hexaenyl]methanimidamide?
N'-[(1Z,4E,7E,9E,11Z)-8-ethenyl-4,11,12-trimethyl-1-(4-prop-2-enylcyclohex-2-en-1-yl)tetradeca-1,4,7,9,11,13-hexaenyl]methanimidamide has a molecular weight of 416.65 g/mol, XLogP of 7.93, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1Z,4E,7E,9E,11Z)-8-ethenyl-4,11,12-trimethyl-1-(4-prop-2-enylcyclohex-2-en-1-yl)tetradeca-1,4,7,9,11,13-hexaenyl]methanimidamide is sourced from PubChem (CID 155273951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).