N-[(Z)-2,5,5-trimethyl-3-propylhex-1-enyl]methanimine

C13H25N — CID 154937360

IUPACN-[(Z)-2,5,5-trimethyl-3-propylhex-1-enyl]methanimine
SMILESC=N/C=C(/C)C(CCC)CC(C)(C)C
InChIInChI=1S/C13H25N/c1-7-8-12(9-13(3,4)5)11(2)10-14-6/h10,12H,6-9H2,1-5H3/b11-10-
InChIKeyBQAHZPXDCPHDOA-KHPPLWFESA-N
MW195.35 g/mol
LogP4.44
Rot. Bonds5

About N-[(Z)-2,5,5-trimethyl-3-propylhex-1-enyl]methanimine

N-[(Z)-2,5,5-trimethyl-3-propylhex-1-enyl]methanimine (PubChem CID 154937360) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is N-[(Z)-2,5,5-trimethyl-3-propylhex-1-enyl]methanimine.

Molecular Properties

Compound NameN-[(Z)-2,5,5-trimethyl-3-propylhex-1-enyl]methanimine
PubChem CID154937360
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC NameN-[(Z)-2,5,5-trimethyl-3-propylhex-1-enyl]methanimine
SMILESC=N/C=C(/C)C(CCC)CC(C)(C)C
InChIInChI=1S/C13H25N/c1-7-8-12(9-13(3,4)5)11(2)10-14-6/h10,12H,6-9H2,1-5H3/b11-10-
InChIKeyBQAHZPXDCPHDOA-KHPPLWFESA-N
XLogP4.44
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(Z)-2,5,5-trimethyl-3-propylhex-1-enyl]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 N-[(Z)-2,5,5-trimethyl-3-propylhex-1-enyl]methanimine?
The IUPAC name of N-[(Z)-2,5,5-trimethyl-3-propylhex-1-enyl]methanimine (CID 154937360) is N-[(Z)-2,5,5-trimethyl-3-propylhex-1-enyl]methanimine.
What is the SMILES notation for N-[(Z)-2,5,5-trimethyl-3-propylhex-1-enyl]methanimine?
The canonical SMILES for N-[(Z)-2,5,5-trimethyl-3-propylhex-1-enyl]methanimine is C=N/C=C(/C)C(CCC)CC(C)(C)C.
What is the InChIKey of N-[(Z)-2,5,5-trimethyl-3-propylhex-1-enyl]methanimine?
The InChIKey is BQAHZPXDCPHDOA-KHPPLWFESA-N. The full InChI is InChI=1S/C13H25N/c1-7-8-12(9-13(3,4)5)11(2)10-14-6/h10,12H,6-9H2,1-5H3/b11-10-.
What are the key properties of N-[(Z)-2,5,5-trimethyl-3-propylhex-1-enyl]methanimine?
N-[(Z)-2,5,5-trimethyl-3-propylhex-1-enyl]methanimine has a molecular weight of 195.35 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2,5,5-trimethyl-3-propylhex-1-enyl]methanimine is sourced from PubChem (CID 154937360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).