[4-methyl-7-[(Z)-3-methylbut-1-enyl]cyclohepta-1,3,6-trien-1-yl]methanimine

C14H19N — CID 143221508

IUPAC[4-methyl-7-[(Z)-3-methylbut-1-enyl]cyclohepta-1,3,6-trien-1-yl]methanimine
SMILES[H]/N=C/C1=CC=C(C)CC=C1/C=C\C(C)C
InChIInChI=1S/C14H19N/c1-11(2)4-7-13-8-5-12(3)6-9-14(13)10-15/h4,6-11,15H,5H2,1-3H3/b7-4-,15-10+
InChIKeyFAPSGTRGXPJGPI-NNGUFLQMSA-N
MW201.31 g/mol
LogP4.05
Rot. Bonds3

About [4-methyl-7-[(Z)-3-methylbut-1-enyl]cyclohepta-1,3,6-trien-1-yl]methanimine

[4-methyl-7-[(Z)-3-methylbut-1-enyl]cyclohepta-1,3,6-trien-1-yl]methanimine (PubChem CID 143221508) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is [4-methyl-7-[(Z)-3-methylbut-1-enyl]cyclohepta-1,3,6-trien-1-yl]methanimine.

Molecular Properties

Compound Name[4-methyl-7-[(Z)-3-methylbut-1-enyl]cyclohepta-1,3,6-trien-1-yl]methanimine
PubChem CID143221508
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name[4-methyl-7-[(Z)-3-methylbut-1-enyl]cyclohepta-1,3,6-trien-1-yl]methanimine
SMILES[H]/N=C/C1=CC=C(C)CC=C1/C=C\C(C)C
InChIInChI=1S/C14H19N/c1-11(2)4-7-13-8-5-12(3)6-9-14(13)10-15/h4,6-11,15H,5H2,1-3H3/b7-4-,15-10+
InChIKeyFAPSGTRGXPJGPI-NNGUFLQMSA-N
XLogP4.05
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [4-methyl-7-[(Z)-3-methylbut-1-enyl]cyclohepta-1,3,6-trien-1-yl]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 [4-methyl-7-[(Z)-3-methylbut-1-enyl]cyclohepta-1,3,6-trien-1-yl]methanimine?
The IUPAC name of [4-methyl-7-[(Z)-3-methylbut-1-enyl]cyclohepta-1,3,6-trien-1-yl]methanimine (CID 143221508) is [4-methyl-7-[(Z)-3-methylbut-1-enyl]cyclohepta-1,3,6-trien-1-yl]methanimine.
What is the SMILES notation for [4-methyl-7-[(Z)-3-methylbut-1-enyl]cyclohepta-1,3,6-trien-1-yl]methanimine?
The canonical SMILES for [4-methyl-7-[(Z)-3-methylbut-1-enyl]cyclohepta-1,3,6-trien-1-yl]methanimine is [H]/N=C/C1=CC=C(C)CC=C1/C=C\C(C)C.
What is the InChIKey of [4-methyl-7-[(Z)-3-methylbut-1-enyl]cyclohepta-1,3,6-trien-1-yl]methanimine?
The InChIKey is FAPSGTRGXPJGPI-NNGUFLQMSA-N. The full InChI is InChI=1S/C14H19N/c1-11(2)4-7-13-8-5-12(3)6-9-14(13)10-15/h4,6-11,15H,5H2,1-3H3/b7-4-,15-10+.
What are the key properties of [4-methyl-7-[(Z)-3-methylbut-1-enyl]cyclohepta-1,3,6-trien-1-yl]methanimine?
[4-methyl-7-[(Z)-3-methylbut-1-enyl]cyclohepta-1,3,6-trien-1-yl]methanimine has a molecular weight of 201.31 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-7-[(Z)-3-methylbut-1-enyl]cyclohepta-1,3,6-trien-1-yl]methanimine is sourced from PubChem (CID 143221508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).