N-hexyl-2-propylpent-2-en-1-imine

C14H27N — CID 90856067

IUPACN-hexyl-2-propylpent-2-en-1-imine
SMILESCCC=C(/C=N/CCCCCC)CCC
InChIInChI=1S/C14H27N/c1-4-7-8-9-12-15-13-14(10-5-2)11-6-3/h10,13H,4-9,11-12H2,1-3H3/b14-10?,15-13+
InChIKeySLPZMHHPMYXOIJ-QENBWMSWSA-N
MW209.38 g/mol
LogP4.77
Rot. Bonds9

About N-hexyl-2-propylpent-2-en-1-imine

N-hexyl-2-propylpent-2-en-1-imine (PubChem CID 90856067) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is N-hexyl-2-propylpent-2-en-1-imine.

Molecular Properties

Compound NameN-hexyl-2-propylpent-2-en-1-imine
PubChem CID90856067
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC NameN-hexyl-2-propylpent-2-en-1-imine
SMILESCCC=C(/C=N/CCCCCC)CCC
InChIInChI=1S/C14H27N/c1-4-7-8-9-12-15-13-14(10-5-2)11-6-3/h10,13H,4-9,11-12H2,1-3H3/b14-10?,15-13+
InChIKeySLPZMHHPMYXOIJ-QENBWMSWSA-N
XLogP4.77
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 54.77
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-hexyl-2-propylpent-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

Related Compounds

N-(2-Ethyl-2-hexenylidene)-1-heneicosanamine
CID 6435659
(1E)-N-Butyl-2-ethylhex-2-en-1-imine
CID 71362789
(3S,7E)-8-(fluoromethyl)-3-methyl-3,4,5,6-tetrahydro-2H-azonine
CID 173998206
(6Z)-5-ethylidene-4-fluoro-6-methyl-7-propan-2-yl-3,4-dihydro-2H-azocine
CID 174137830
(E)-N-cyclohexyl-2-ethylbut-2-en-1-imine
CID 127262357
N-(2-ethyl-2-hexenylidene)propylamine
CID 129806324
(S,e)-5-(2-methylbutylidene)-2,3,4,5-tetrahydropyridine
CID 129849200
3-Ethyl-5-(3-fluorobutyl)-2,3-dihydropyridine
CID 144096701
2-ethyl-N-henicosylhex-2-en-1-imine
CID 58152
(E)-N-cyclohexyl-2-ethylhept-2-en-1-imine
CID 23394363
N-hexylhex-3-en-1-imine
CID 56985502
(2E,6E)-N-butyl-3,7,11-trimethyldodeca-2,6,10-trien-1-imine
CID 60138462

Frequently Asked Questions

What is the IUPAC name of N-hexyl-2-propylpent-2-en-1-imine?
The IUPAC name of N-hexyl-2-propylpent-2-en-1-imine (CID 90856067) is N-hexyl-2-propylpent-2-en-1-imine.
What is the SMILES notation for N-hexyl-2-propylpent-2-en-1-imine?
The canonical SMILES for N-hexyl-2-propylpent-2-en-1-imine is CCC=C(/C=N/CCCCCC)CCC.
What is the InChIKey of N-hexyl-2-propylpent-2-en-1-imine?
The InChIKey is SLPZMHHPMYXOIJ-QENBWMSWSA-N. The full InChI is InChI=1S/C14H27N/c1-4-7-8-9-12-15-13-14(10-5-2)11-6-3/h10,13H,4-9,11-12H2,1-3H3/b14-10?,15-13+.
What are the key properties of N-hexyl-2-propylpent-2-en-1-imine?
N-hexyl-2-propylpent-2-en-1-imine has a molecular weight of 209.38 g/mol, XLogP of 4.77, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2-propylpent-2-en-1-imine is sourced from PubChem (CID 90856067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).