1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-N-(4-propan-2-ylphenyl)methanimine

C22H30N2 — CID 21209348

IUPAC1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-N-(4-propan-2-ylphenyl)methanimine
SMILESCc1cc(/C=N/c2ccc(C(C)C)cc2)c(C)n1C1CCCCC1
InChIInChI=1S/C22H30N2/c1-16(2)19-10-12-21(13-11-19)23-15-20-14-17(3)24(18(20)4)22-8-6-5-7-9-22/h10-16,22H,5-9H2,1-4H3/b23-15+
InChIKeyHVBKLJDACBANHK-HZHRSRAPSA-N
MW322.50 g/mol
LogP6.48
Rot. Bonds4

About 1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-N-(4-propan-2-ylphenyl)methanimine

1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-N-(4-propan-2-ylphenyl)methanimine (PubChem CID 21209348) has the molecular formula C22H30N2 and a molecular weight of 322.50 g/mol. Its IUPAC name is 1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-N-(4-propan-2-ylphenyl)methanimine.

Molecular Properties

Compound Name1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-N-(4-propan-2-ylphenyl)methanimine
PubChem CID21209348
Molecular FormulaC22H30N2
Molecular Weight322.50 g/mol
Exact Mass322.24
IUPAC Name1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-N-(4-propan-2-ylphenyl)methanimine
SMILESCc1cc(/C=N/c2ccc(C(C)C)cc2)c(C)n1C1CCCCC1
InChIInChI=1S/C22H30N2/c1-16(2)19-10-12-21(13-11-19)23-15-20-14-17(3)24(18(20)4)22-8-6-5-7-9-22/h10-16,22H,5-9H2,1-4H3/b23-15+
InChIKeyHVBKLJDACBANHK-HZHRSRAPSA-N
XLogP6.48
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.50
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-N-(4-propan-2-ylphenyl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-N-(4-propan-2-ylphenyl)methanimine?
The IUPAC name of 1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-N-(4-propan-2-ylphenyl)methanimine (CID 21209348) is 1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-N-(4-propan-2-ylphenyl)methanimine.
What is the SMILES notation for 1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-N-(4-propan-2-ylphenyl)methanimine?
The canonical SMILES for 1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-N-(4-propan-2-ylphenyl)methanimine is Cc1cc(/C=N/c2ccc(C(C)C)cc2)c(C)n1C1CCCCC1.
What is the InChIKey of 1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-N-(4-propan-2-ylphenyl)methanimine?
The InChIKey is HVBKLJDACBANHK-HZHRSRAPSA-N. The full InChI is InChI=1S/C22H30N2/c1-16(2)19-10-12-21(13-11-19)23-15-20-14-17(3)24(18(20)4)22-8-6-5-7-9-22/h10-16,22H,5-9H2,1-4H3/b23-15+.
What are the key properties of 1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-N-(4-propan-2-ylphenyl)methanimine?
1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-N-(4-propan-2-ylphenyl)methanimine has a molecular weight of 322.50 g/mol, XLogP of 6.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-N-(4-propan-2-ylphenyl)methanimine is sourced from PubChem (CID 21209348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).