N-methyl-2-[6-[1-[6-(2-methylpent-3-en-2-yl)cyclohexa-1,3-dien-1-yl]ethenyl]cyclohexa-1,5-dien-1-yl]propan-1-imine

C24H33N — CID 134201764

IUPACN-methyl-2-[6-[1-[6-(2-methylpent-3-en-2-yl)cyclohexa-1,3-dien-1-yl]ethenyl]cyclohexa-1,5-dien-1-yl]propan-1-imine
SMILESC=C(C1=CCCC=C1C(C)/C=N/C)C1=CC=CCC1C(C)(C)C=CC
InChIInChI=1S/C24H33N/c1-7-16-24(4,5)23-15-11-10-14-22(23)19(3)21-13-9-8-12-20(21)18(2)17-25-6/h7,10-14,16-18,23H,3,8-9,15H2,1-2,4-6H3/b16-7?,25-17+
InChIKeyXSFDNPSNPWZRCO-QOJXARQLSA-N
MW335.54 g/mol
LogP6.63
Rot. Bonds6

About N-methyl-2-[6-[1-[6-(2-methylpent-3-en-2-yl)cyclohexa-1,3-dien-1-yl]ethenyl]cyclohexa-1,5-dien-1-yl]propan-1-imine

N-methyl-2-[6-[1-[6-(2-methylpent-3-en-2-yl)cyclohexa-1,3-dien-1-yl]ethenyl]cyclohexa-1,5-dien-1-yl]propan-1-imine (PubChem CID 134201764) has the molecular formula C24H33N and a molecular weight of 335.54 g/mol. Its IUPAC name is N-methyl-2-[6-[1-[6-(2-methylpent-3-en-2-yl)cyclohexa-1,3-dien-1-yl]ethenyl]cyclohexa-1,5-dien-1-yl]propan-1-imine.

Molecular Properties

Compound NameN-methyl-2-[6-[1-[6-(2-methylpent-3-en-2-yl)cyclohexa-1,3-dien-1-yl]ethenyl]cyclohexa-1,5-dien-1-yl]propan-1-imine
PubChem CID134201764
Molecular FormulaC24H33N
Molecular Weight335.54 g/mol
Exact Mass335.26
IUPAC NameN-methyl-2-[6-[1-[6-(2-methylpent-3-en-2-yl)cyclohexa-1,3-dien-1-yl]ethenyl]cyclohexa-1,5-dien-1-yl]propan-1-imine
SMILESC=C(C1=CCCC=C1C(C)/C=N/C)C1=CC=CCC1C(C)(C)C=CC
InChIInChI=1S/C24H33N/c1-7-16-24(4,5)23-15-11-10-14-22(23)19(3)21-13-9-8-12-20(21)18(2)17-25-6/h7,10-14,16-18,23H,3,8-9,15H2,1-2,4-6H3/b16-7?,25-17+
InChIKeyXSFDNPSNPWZRCO-QOJXARQLSA-N
XLogP6.63
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.54
LogP ≤ 56.63
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'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[6-[1-[6-(2-methylpent-3-en-2-yl)cyclohexa-1,3-dien-1-yl]ethenyl]cyclohexa-1,5-dien-1-yl]propan-1-imine?
The IUPAC name of N-methyl-2-[6-[1-[6-(2-methylpent-3-en-2-yl)cyclohexa-1,3-dien-1-yl]ethenyl]cyclohexa-1,5-dien-1-yl]propan-1-imine (CID 134201764) is N-methyl-2-[6-[1-[6-(2-methylpent-3-en-2-yl)cyclohexa-1,3-dien-1-yl]ethenyl]cyclohexa-1,5-dien-1-yl]propan-1-imine.
What is the SMILES notation for N-methyl-2-[6-[1-[6-(2-methylpent-3-en-2-yl)cyclohexa-1,3-dien-1-yl]ethenyl]cyclohexa-1,5-dien-1-yl]propan-1-imine?
The canonical SMILES for N-methyl-2-[6-[1-[6-(2-methylpent-3-en-2-yl)cyclohexa-1,3-dien-1-yl]ethenyl]cyclohexa-1,5-dien-1-yl]propan-1-imine is C=C(C1=CCCC=C1C(C)/C=N/C)C1=CC=CCC1C(C)(C)C=CC.
What is the InChIKey of N-methyl-2-[6-[1-[6-(2-methylpent-3-en-2-yl)cyclohexa-1,3-dien-1-yl]ethenyl]cyclohexa-1,5-dien-1-yl]propan-1-imine?
The InChIKey is XSFDNPSNPWZRCO-QOJXARQLSA-N. The full InChI is InChI=1S/C24H33N/c1-7-16-24(4,5)23-15-11-10-14-22(23)19(3)21-13-9-8-12-20(21)18(2)17-25-6/h7,10-14,16-18,23H,3,8-9,15H2,1-2,4-6H3/b16-7?,25-17+.
What are the key properties of N-methyl-2-[6-[1-[6-(2-methylpent-3-en-2-yl)cyclohexa-1,3-dien-1-yl]ethenyl]cyclohexa-1,5-dien-1-yl]propan-1-imine?
N-methyl-2-[6-[1-[6-(2-methylpent-3-en-2-yl)cyclohexa-1,3-dien-1-yl]ethenyl]cyclohexa-1,5-dien-1-yl]propan-1-imine has a molecular weight of 335.54 g/mol, XLogP of 6.63, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[6-[1-[6-(2-methylpent-3-en-2-yl)cyclohexa-1,3-dien-1-yl]ethenyl]cyclohexa-1,5-dien-1-yl]propan-1-imine is sourced from PubChem (CID 134201764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).