N-(2-ethylbutyl)oct-7-en-1-imine

C14H27N — CID 123442282

IUPACN-(2-ethylbutyl)oct-7-en-1-imine
SMILESC=CCCCCC/C=N/CC(CC)CC
InChIInChI=1S/C14H27N/c1-4-7-8-9-10-11-12-15-13-14(5-2)6-3/h4,12,14H,1,5-11,13H2,2-3H3/b15-12+
InChIKeyUQLQHLXETICBCQ-NTCAYCPXSA-N
MW209.38 g/mol
LogP4.63
Rot. Bonds10

About N-(2-ethylbutyl)oct-7-en-1-imine

N-(2-ethylbutyl)oct-7-en-1-imine (PubChem CID 123442282) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is N-(2-ethylbutyl)oct-7-en-1-imine.

Molecular Properties

Compound NameN-(2-ethylbutyl)oct-7-en-1-imine
PubChem CID123442282
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC NameN-(2-ethylbutyl)oct-7-en-1-imine
SMILESC=CCCCCC/C=N/CC(CC)CC
InChIInChI=1S/C14H27N/c1-4-7-8-9-10-11-12-15-13-14(5-2)6-3/h4,12,14H,1,5-11,13H2,2-3H3/b15-12+
InChIKeyUQLQHLXETICBCQ-NTCAYCPXSA-N
XLogP4.63
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 54.63
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-ethylbutyl)oct-7-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

Related Compounds

(1E)-N-(2-Methylpropyl)pent-4-en-1-imine
CID 13402840
(2-Ethylhexylidene)-allylamine
CID 20436125
(5E,9E)-3-butyl-1-azacyclododeca-1,5,9-triene
CID 70595591
3-Butyl-1-azacyclododeca-1,5,9-triene
CID 70595592
3-prop-2-enyl-N-[5-(3-prop-2-enyloctylideneamino)pentyl]octan-1-imine
CID 88610262
N-butyl-5-ethenyloct-7-en-1-imine
CID 89392711
2-(5-Ethenyloct-1-en-3-yl)imidazol-2-ylium
CID 90889664
N,4-dimethyloct-6-en-1-imine
CID 91168305
3-ethenyl-N,N'-dimethyl-2-methylidenepentane-1,5-diimine
CID 91216551
N-(2-ethenyl-3-methylpentyl)ethanimine
CID 91222977
2-ethyl-N,3-dimethylhex-5-en-1-imine
CID 91337610
N-methyloct-7-en-1-imine
CID 91424829

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)oct-7-en-1-imine?
The IUPAC name of N-(2-ethylbutyl)oct-7-en-1-imine (CID 123442282) is N-(2-ethylbutyl)oct-7-en-1-imine.
What is the SMILES notation for N-(2-ethylbutyl)oct-7-en-1-imine?
The canonical SMILES for N-(2-ethylbutyl)oct-7-en-1-imine is C=CCCCCC/C=N/CC(CC)CC.
What is the InChIKey of N-(2-ethylbutyl)oct-7-en-1-imine?
The InChIKey is UQLQHLXETICBCQ-NTCAYCPXSA-N. The full InChI is InChI=1S/C14H27N/c1-4-7-8-9-10-11-12-15-13-14(5-2)6-3/h4,12,14H,1,5-11,13H2,2-3H3/b15-12+.
What are the key properties of N-(2-ethylbutyl)oct-7-en-1-imine?
N-(2-ethylbutyl)oct-7-en-1-imine has a molecular weight of 209.38 g/mol, XLogP of 4.63, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)oct-7-en-1-imine is sourced from PubChem (CID 123442282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).