N-[4-[[4-(butylideneamino)-1,5-dimethylcyclohexa-2,4-dien-1-yl]methyl]-2,4-dimethylcyclohexa-1,5-dien-1-yl]butan-1-imine

C25H38N2 — CID 154143417

IUPACN-[4-[[4-(butylideneamino)-1,5-dimethylcyclohexa-2,4-dien-1-yl]methyl]-2,4-dimethylcyclohexa-1,5-dien-1-yl]butan-1-imine
SMILESCCC/C=N/C1=C(C)CC(C)(CC2(C)C=CC(/N=C/CCC)=C(C)C2)C=C1
InChIInChI=1S/C25H38N2/c1-7-9-15-26-22-11-13-24(5,17-20(22)3)19-25(6)14-12-23(21(4)18-25)27-16-10-8-2/h11-16H,7-10,17-19H2,1-6H3/b26-15+,27-16+
InChIKeyFKQCFDXRYGLYKI-JQMRRPHZSA-N
MW366.59 g/mol
LogP7.60
Rot. Bonds8

About N-[4-[[4-(butylideneamino)-1,5-dimethylcyclohexa-2,4-dien-1-yl]methyl]-2,4-dimethylcyclohexa-1,5-dien-1-yl]butan-1-imine

N-[4-[[4-(butylideneamino)-1,5-dimethylcyclohexa-2,4-dien-1-yl]methyl]-2,4-dimethylcyclohexa-1,5-dien-1-yl]butan-1-imine (PubChem CID 154143417) has the molecular formula C25H38N2 and a molecular weight of 366.59 g/mol. Its IUPAC name is N-[4-[[4-(butylideneamino)-1,5-dimethylcyclohexa-2,4-dien-1-yl]methyl]-2,4-dimethylcyclohexa-1,5-dien-1-yl]butan-1-imine.

Molecular Properties

Compound NameN-[4-[[4-(butylideneamino)-1,5-dimethylcyclohexa-2,4-dien-1-yl]methyl]-2,4-dimethylcyclohexa-1,5-dien-1-yl]butan-1-imine
PubChem CID154143417
Molecular FormulaC25H38N2
Molecular Weight366.59 g/mol
Exact Mass366.30
IUPAC NameN-[4-[[4-(butylideneamino)-1,5-dimethylcyclohexa-2,4-dien-1-yl]methyl]-2,4-dimethylcyclohexa-1,5-dien-1-yl]butan-1-imine
SMILESCCC/C=N/C1=C(C)CC(C)(CC2(C)C=CC(/N=C/CCC)=C(C)C2)C=C1
InChIInChI=1S/C25H38N2/c1-7-9-15-26-22-11-13-24(5,17-20(22)3)19-25(6)14-12-23(21(4)18-25)27-16-10-8-2/h11-16H,7-10,17-19H2,1-6H3/b26-15+,27-16+
InChIKeyFKQCFDXRYGLYKI-JQMRRPHZSA-N
XLogP7.60
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.59
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(butylideneamino)-1,5-dimethylcyclohexa-2,4-dien-1-yl]methyl]-2,4-dimethylcyclohexa-1,5-dien-1-yl]butan-1-imine?
The IUPAC name of N-[4-[[4-(butylideneamino)-1,5-dimethylcyclohexa-2,4-dien-1-yl]methyl]-2,4-dimethylcyclohexa-1,5-dien-1-yl]butan-1-imine (CID 154143417) is N-[4-[[4-(butylideneamino)-1,5-dimethylcyclohexa-2,4-dien-1-yl]methyl]-2,4-dimethylcyclohexa-1,5-dien-1-yl]butan-1-imine.
What is the SMILES notation for N-[4-[[4-(butylideneamino)-1,5-dimethylcyclohexa-2,4-dien-1-yl]methyl]-2,4-dimethylcyclohexa-1,5-dien-1-yl]butan-1-imine?
The canonical SMILES for N-[4-[[4-(butylideneamino)-1,5-dimethylcyclohexa-2,4-dien-1-yl]methyl]-2,4-dimethylcyclohexa-1,5-dien-1-yl]butan-1-imine is CCC/C=N/C1=C(C)CC(C)(CC2(C)C=CC(/N=C/CCC)=C(C)C2)C=C1.
What is the InChIKey of N-[4-[[4-(butylideneamino)-1,5-dimethylcyclohexa-2,4-dien-1-yl]methyl]-2,4-dimethylcyclohexa-1,5-dien-1-yl]butan-1-imine?
The InChIKey is FKQCFDXRYGLYKI-JQMRRPHZSA-N. The full InChI is InChI=1S/C25H38N2/c1-7-9-15-26-22-11-13-24(5,17-20(22)3)19-25(6)14-12-23(21(4)18-25)27-16-10-8-2/h11-16H,7-10,17-19H2,1-6H3/b26-15+,27-16+.
What are the key properties of N-[4-[[4-(butylideneamino)-1,5-dimethylcyclohexa-2,4-dien-1-yl]methyl]-2,4-dimethylcyclohexa-1,5-dien-1-yl]butan-1-imine?
N-[4-[[4-(butylideneamino)-1,5-dimethylcyclohexa-2,4-dien-1-yl]methyl]-2,4-dimethylcyclohexa-1,5-dien-1-yl]butan-1-imine has a molecular weight of 366.59 g/mol, XLogP of 7.60, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(butylideneamino)-1,5-dimethylcyclohexa-2,4-dien-1-yl]methyl]-2,4-dimethylcyclohexa-1,5-dien-1-yl]butan-1-imine is sourced from PubChem (CID 154143417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).