N-(2-hexyl-2-methyloct-7-enyl)methanimine

C16H31N — CID 163484549

IUPACN-(2-hexyl-2-methyloct-7-enyl)methanimine
SMILESC=CCCCCC(C)(CCCCCC)CN=C
InChIInChI=1S/C16H31N/c1-5-7-9-11-13-16(3,15-17-4)14-12-10-8-6-2/h5H,1,4,6-15H2,2-3H3
InChIKeyCHLUGXWWQJEHCB-UHFFFAOYSA-N
MW237.43 g/mol
LogP5.41
Rot. Bonds12

About N-(2-hexyl-2-methyloct-7-enyl)methanimine

N-(2-hexyl-2-methyloct-7-enyl)methanimine (PubChem CID 163484549) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is N-(2-hexyl-2-methyloct-7-enyl)methanimine.

Molecular Properties

Compound NameN-(2-hexyl-2-methyloct-7-enyl)methanimine
PubChem CID163484549
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC NameN-(2-hexyl-2-methyloct-7-enyl)methanimine
SMILESC=CCCCCC(C)(CCCCCC)CN=C
InChIInChI=1S/C16H31N/c1-5-7-9-11-13-16(3,15-17-4)14-12-10-8-6-2/h5H,1,4,6-15H2,2-3H3
InChIKeyCHLUGXWWQJEHCB-UHFFFAOYSA-N
XLogP5.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500237.43
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-hexyl-2-methyloct-7-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-(2-hexyl-2-methyloct-7-enyl)methanimine?
The IUPAC name of N-(2-hexyl-2-methyloct-7-enyl)methanimine (CID 163484549) is N-(2-hexyl-2-methyloct-7-enyl)methanimine.
What is the SMILES notation for N-(2-hexyl-2-methyloct-7-enyl)methanimine?
The canonical SMILES for N-(2-hexyl-2-methyloct-7-enyl)methanimine is C=CCCCCC(C)(CCCCCC)CN=C.
What is the InChIKey of N-(2-hexyl-2-methyloct-7-enyl)methanimine?
The InChIKey is CHLUGXWWQJEHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-5-7-9-11-13-16(3,15-17-4)14-12-10-8-6-2/h5H,1,4,6-15H2,2-3H3.
What are the key properties of N-(2-hexyl-2-methyloct-7-enyl)methanimine?
N-(2-hexyl-2-methyloct-7-enyl)methanimine has a molecular weight of 237.43 g/mol, XLogP of 5.41, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hexyl-2-methyloct-7-enyl)methanimine is sourced from PubChem (CID 163484549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).