N-[(Z)-but-1-enyl]-2-methylcyclohexan-1-imine

C11H19N — CID 89200155

IUPACN-[(Z)-but-1-enyl]-2-methylcyclohexan-1-imine
SMILESCC/C=C\N=C1/CCCCC1C
InChIInChI=1S/C11H19N/c1-3-4-9-12-11-8-6-5-7-10(11)2/h4,9-10H,3,5-8H2,1-2H3/b9-4-,12-11+
InChIKeyDIEPLVWALCWLQV-VZRAGSMKSA-N
MW165.28 g/mol
LogP3.56
Rot. Bonds2

About N-[(Z)-but-1-enyl]-2-methylcyclohexan-1-imine

N-[(Z)-but-1-enyl]-2-methylcyclohexan-1-imine (PubChem CID 89200155) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-[(Z)-but-1-enyl]-2-methylcyclohexan-1-imine.

Molecular Properties

Compound NameN-[(Z)-but-1-enyl]-2-methylcyclohexan-1-imine
PubChem CID89200155
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-[(Z)-but-1-enyl]-2-methylcyclohexan-1-imine
SMILESCC/C=C\N=C1/CCCCC1C
InChIInChI=1S/C11H19N/c1-3-4-9-12-11-8-6-5-7-10(11)2/h4,9-10H,3,5-8H2,1-2H3/b9-4-,12-11+
InChIKeyDIEPLVWALCWLQV-VZRAGSMKSA-N
XLogP3.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(Z)-but-1-enyl]-2-methylcyclohexan-1-imine 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 N-[(Z)-but-1-enyl]-2-methylcyclohexan-1-imine?
The IUPAC name of N-[(Z)-but-1-enyl]-2-methylcyclohexan-1-imine (CID 89200155) is N-[(Z)-but-1-enyl]-2-methylcyclohexan-1-imine.
What is the SMILES notation for N-[(Z)-but-1-enyl]-2-methylcyclohexan-1-imine?
The canonical SMILES for N-[(Z)-but-1-enyl]-2-methylcyclohexan-1-imine is CC/C=C\N=C1/CCCCC1C.
What is the InChIKey of N-[(Z)-but-1-enyl]-2-methylcyclohexan-1-imine?
The InChIKey is DIEPLVWALCWLQV-VZRAGSMKSA-N. The full InChI is InChI=1S/C11H19N/c1-3-4-9-12-11-8-6-5-7-10(11)2/h4,9-10H,3,5-8H2,1-2H3/b9-4-,12-11+.
What are the key properties of N-[(Z)-but-1-enyl]-2-methylcyclohexan-1-imine?
N-[(Z)-but-1-enyl]-2-methylcyclohexan-1-imine has a molecular weight of 165.28 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-but-1-enyl]-2-methylcyclohexan-1-imine is sourced from PubChem (CID 89200155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).