(Z)-N-methyl-4-[2-[(Z)-3-methylpent-2-en-2-yl]-3-(5,6,9-trimethyl-6-prop-1-enyldeca-3,9-dien-5-yl)cyclohexa-1,5-dien-1-yl]but-2-en-1-imine

C33H51N — CID 139373009

IUPAC(Z)-N-methyl-4-[2-[(Z)-3-methylpent-2-en-2-yl]-3-(5,6,9-trimethyl-6-prop-1-enyldeca-3,9-dien-5-yl)cyclohexa-1,5-dien-1-yl]but-2-en-1-imine
SMILESC=C(C)CCC(C)(C=CC)C(C)(C=CCC)C1CC=CC(C/C=C\C=N\C)=C1/C(C)=C(/C)CC
InChIInChI=1S/C33H51N/c1-11-14-23-33(9,32(8,22-12-2)24-21-26(4)5)30-20-17-19-29(18-15-16-25-34-10)31(30)28(7)27(6)13-3/h12,14-17,19,22-23,25,30H,4,11,13,18,20-21,24H2,1-3,5-10H3/b16-15-,22-12?,23-14?,28-27-,34-25+
InChIKeyHXRCERIPNKAFRA-HBMVUJITSA-N
MW461.78 g/mol
LogP10.16
Rot. Bonds13

About (Z)-N-methyl-4-[2-[(Z)-3-methylpent-2-en-2-yl]-3-(5,6,9-trimethyl-6-prop-1-enyldeca-3,9-dien-5-yl)cyclohexa-1,5-dien-1-yl]but-2-en-1-imine

(Z)-N-methyl-4-[2-[(Z)-3-methylpent-2-en-2-yl]-3-(5,6,9-trimethyl-6-prop-1-enyldeca-3,9-dien-5-yl)cyclohexa-1,5-dien-1-yl]but-2-en-1-imine (PubChem CID 139373009) has the molecular formula C33H51N and a molecular weight of 461.78 g/mol. Its IUPAC name is (Z)-N-methyl-4-[2-[(Z)-3-methylpent-2-en-2-yl]-3-(5,6,9-trimethyl-6-prop-1-enyldeca-3,9-dien-5-yl)cyclohexa-1,5-dien-1-yl]but-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-methyl-4-[2-[(Z)-3-methylpent-2-en-2-yl]-3-(5,6,9-trimethyl-6-prop-1-enyldeca-3,9-dien-5-yl)cyclohexa-1,5-dien-1-yl]but-2-en-1-imine
PubChem CID139373009
Molecular FormulaC33H51N
Molecular Weight461.78 g/mol
Exact Mass461.40
IUPAC Name(Z)-N-methyl-4-[2-[(Z)-3-methylpent-2-en-2-yl]-3-(5,6,9-trimethyl-6-prop-1-enyldeca-3,9-dien-5-yl)cyclohexa-1,5-dien-1-yl]but-2-en-1-imine
SMILESC=C(C)CCC(C)(C=CC)C(C)(C=CCC)C1CC=CC(C/C=C\C=N\C)=C1/C(C)=C(/C)CC
InChIInChI=1S/C33H51N/c1-11-14-23-33(9,32(8,22-12-2)24-21-26(4)5)30-20-17-19-29(18-15-16-25-34-10)31(30)28(7)27(6)13-3/h12,14-17,19,22-23,25,30H,4,11,13,18,20-21,24H2,1-3,5-10H3/b16-15-,22-12?,23-14?,28-27-,34-25+
InChIKeyHXRCERIPNKAFRA-HBMVUJITSA-N
XLogP10.16
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.78
LogP ≤ 510.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-N-methyl-4-[2-[(Z)-3-methylpent-2-en-2-yl]-3-(5,6,9-trimethyl-6-prop-1-enyldeca-3,9-dien-5-yl)cyclohexa-1,5-dien-1-yl]but-2-en-1-imine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-4-[2-[(Z)-3-methylpent-2-en-2-yl]-3-(5,6,9-trimethyl-6-prop-1-enyldeca-3,9-dien-5-yl)cyclohexa-1,5-dien-1-yl]but-2-en-1-imine?
The IUPAC name of (Z)-N-methyl-4-[2-[(Z)-3-methylpent-2-en-2-yl]-3-(5,6,9-trimethyl-6-prop-1-enyldeca-3,9-dien-5-yl)cyclohexa-1,5-dien-1-yl]but-2-en-1-imine (CID 139373009) is (Z)-N-methyl-4-[2-[(Z)-3-methylpent-2-en-2-yl]-3-(5,6,9-trimethyl-6-prop-1-enyldeca-3,9-dien-5-yl)cyclohexa-1,5-dien-1-yl]but-2-en-1-imine.
What is the SMILES notation for (Z)-N-methyl-4-[2-[(Z)-3-methylpent-2-en-2-yl]-3-(5,6,9-trimethyl-6-prop-1-enyldeca-3,9-dien-5-yl)cyclohexa-1,5-dien-1-yl]but-2-en-1-imine?
The canonical SMILES for (Z)-N-methyl-4-[2-[(Z)-3-methylpent-2-en-2-yl]-3-(5,6,9-trimethyl-6-prop-1-enyldeca-3,9-dien-5-yl)cyclohexa-1,5-dien-1-yl]but-2-en-1-imine is C=C(C)CCC(C)(C=CC)C(C)(C=CCC)C1CC=CC(C/C=C\C=N\C)=C1/C(C)=C(/C)CC.
What is the InChIKey of (Z)-N-methyl-4-[2-[(Z)-3-methylpent-2-en-2-yl]-3-(5,6,9-trimethyl-6-prop-1-enyldeca-3,9-dien-5-yl)cyclohexa-1,5-dien-1-yl]but-2-en-1-imine?
The InChIKey is HXRCERIPNKAFRA-HBMVUJITSA-N. The full InChI is InChI=1S/C33H51N/c1-11-14-23-33(9,32(8,22-12-2)24-21-26(4)5)30-20-17-19-29(18-15-16-25-34-10)31(30)28(7)27(6)13-3/h12,14-17,19,22-23,25,30H,4,11,13,18,20-21,24H2,1-3,5-10H3/b16-15-,22-12?,23-14?,28-27-,34-25+.
What are the key properties of (Z)-N-methyl-4-[2-[(Z)-3-methylpent-2-en-2-yl]-3-(5,6,9-trimethyl-6-prop-1-enyldeca-3,9-dien-5-yl)cyclohexa-1,5-dien-1-yl]but-2-en-1-imine?
(Z)-N-methyl-4-[2-[(Z)-3-methylpent-2-en-2-yl]-3-(5,6,9-trimethyl-6-prop-1-enyldeca-3,9-dien-5-yl)cyclohexa-1,5-dien-1-yl]but-2-en-1-imine has a molecular weight of 461.78 g/mol, XLogP of 10.16, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-4-[2-[(Z)-3-methylpent-2-en-2-yl]-3-(5,6,9-trimethyl-6-prop-1-enyldeca-3,9-dien-5-yl)cyclohexa-1,5-dien-1-yl]but-2-en-1-imine is sourced from PubChem (CID 139373009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).