N-(3-ethylpent-4-en-2-yl)-3-methylbutan-1-imine

C12H23N — CID 123399431

IUPACN-(3-ethylpent-4-en-2-yl)-3-methylbutan-1-imine
SMILESC=CC(CC)C(C)/N=C/CC(C)C
InChIInChI=1S/C12H23N/c1-6-12(7-2)11(5)13-9-8-10(3)4/h6,9-12H,1,7-8H2,2-5H3/b13-9+
InChIKeyXDSPACZUEXGZGB-UKTHLTGXSA-N
MW181.32 g/mol
LogP3.70
Rot. Bonds6

About N-(3-ethylpent-4-en-2-yl)-3-methylbutan-1-imine

N-(3-ethylpent-4-en-2-yl)-3-methylbutan-1-imine (PubChem CID 123399431) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-(3-ethylpent-4-en-2-yl)-3-methylbutan-1-imine.

Molecular Properties

Compound NameN-(3-ethylpent-4-en-2-yl)-3-methylbutan-1-imine
PubChem CID123399431
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-(3-ethylpent-4-en-2-yl)-3-methylbutan-1-imine
SMILESC=CC(CC)C(C)/N=C/CC(C)C
InChIInChI=1S/C12H23N/c1-6-12(7-2)11(5)13-9-8-10(3)4/h6,9-12H,1,7-8H2,2-5H3/b13-9+
InChIKeyXDSPACZUEXGZGB-UKTHLTGXSA-N
XLogP3.70
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1E)-N-(2-Methylpropyl)pent-4-en-1-imine
CID 13402840
2-(3-Methylbutan-2-yl)-1-azacyclododeca-4,8,12-triene
CID 70531114
N-butyl-5-ethenyloct-7-en-1-imine
CID 89392711
N-(3-methylpent-4-en-2-yl)ethanimine
CID 89603941
2-methyl-3-prop-1-enyl-3,4-dihydro-2H-pyrrole
CID 91059657
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-[3-[(E)-prop-1-enyl]heptan-2-yl]propan-1-imine
CID 118616226
N-(2-methylbutyl)hex-5-en-1-imine
CID 123382083
N-(2-ethylbutyl)oct-7-en-1-imine
CID 123442282
2-ethyl-N-methylpent-4-en-1-imine
CID 123486283

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpent-4-en-2-yl)-3-methylbutan-1-imine?
The IUPAC name of N-(3-ethylpent-4-en-2-yl)-3-methylbutan-1-imine (CID 123399431) is N-(3-ethylpent-4-en-2-yl)-3-methylbutan-1-imine.
What is the SMILES notation for N-(3-ethylpent-4-en-2-yl)-3-methylbutan-1-imine?
The canonical SMILES for N-(3-ethylpent-4-en-2-yl)-3-methylbutan-1-imine is C=CC(CC)C(C)/N=C/CC(C)C.
What is the InChIKey of N-(3-ethylpent-4-en-2-yl)-3-methylbutan-1-imine?
The InChIKey is XDSPACZUEXGZGB-UKTHLTGXSA-N. The full InChI is InChI=1S/C12H23N/c1-6-12(7-2)11(5)13-9-8-10(3)4/h6,9-12H,1,7-8H2,2-5H3/b13-9+.
What are the key properties of N-(3-ethylpent-4-en-2-yl)-3-methylbutan-1-imine?
N-(3-ethylpent-4-en-2-yl)-3-methylbutan-1-imine has a molecular weight of 181.32 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpent-4-en-2-yl)-3-methylbutan-1-imine is sourced from PubChem (CID 123399431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).