N-pentylhept-2-en-1-imine

C12H23N — CID 174632353

IUPACN-pentylhept-2-en-1-imine
SMILESCCCCC=C/C=N/CCCCC
InChIInChI=1S/C12H23N/c1-3-5-7-8-10-12-13-11-9-6-4-2/h8,10,12H,3-7,9,11H2,1-2H3/b10-8?,13-12+
InChIKeyWTJPAVJTACUQBI-VMJKLYIWSA-N
MW181.32 g/mol
LogP3.99
Rot. Bonds8

About N-pentylhept-2-en-1-imine

N-pentylhept-2-en-1-imine (PubChem CID 174632353) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-pentylhept-2-en-1-imine.

Molecular Properties

Compound NameN-pentylhept-2-en-1-imine
PubChem CID174632353
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-pentylhept-2-en-1-imine
SMILESCCCCC=C/C=N/CCCCC
InChIInChI=1S/C12H23N/c1-3-5-7-8-10-12-13-11-9-6-4-2/h8,10,12H,3-7,9,11H2,1-2H3/b10-8?,13-12+
InChIKeyWTJPAVJTACUQBI-VMJKLYIWSA-N
XLogP3.99
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.99
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'}

Analyze N-pentylhept-2-en-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-pentylhept-2-en-1-imine?
The IUPAC name of N-pentylhept-2-en-1-imine (CID 174632353) is N-pentylhept-2-en-1-imine.
What is the SMILES notation for N-pentylhept-2-en-1-imine?
The canonical SMILES for N-pentylhept-2-en-1-imine is CCCCC=C/C=N/CCCCC.
What is the InChIKey of N-pentylhept-2-en-1-imine?
The InChIKey is WTJPAVJTACUQBI-VMJKLYIWSA-N. The full InChI is InChI=1S/C12H23N/c1-3-5-7-8-10-12-13-11-9-6-4-2/h8,10,12H,3-7,9,11H2,1-2H3/b10-8?,13-12+.
What are the key properties of N-pentylhept-2-en-1-imine?
N-pentylhept-2-en-1-imine has a molecular weight of 181.32 g/mol, XLogP of 3.99, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentylhept-2-en-1-imine is sourced from PubChem (CID 174632353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).