4-ethenyl-N,4-dimethyloct-2-en-1-imine

C12H21N — CID 123657818

IUPAC4-ethenyl-N,4-dimethyloct-2-en-1-imine
SMILESC=CC(C)(C=C/C=N/C)CCCC
InChIInChI=1S/C12H21N/c1-5-7-9-12(3,6-2)10-8-11-13-4/h6,8,10-11H,2,5,7,9H2,1,3-4H3/b10-8?,13-11+
InChIKeyHJAJASGFPPFWHI-XRAJXRDMSA-N
MW179.31 g/mol
LogP3.63
Rot. Bonds6

About 4-ethenyl-N,4-dimethyloct-2-en-1-imine

4-ethenyl-N,4-dimethyloct-2-en-1-imine (PubChem CID 123657818) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 4-ethenyl-N,4-dimethyloct-2-en-1-imine.

Molecular Properties

Compound Name4-ethenyl-N,4-dimethyloct-2-en-1-imine
PubChem CID123657818
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name4-ethenyl-N,4-dimethyloct-2-en-1-imine
SMILESC=CC(C)(C=C/C=N/C)CCCC
InChIInChI=1S/C12H21N/c1-5-7-9-12(3,6-2)10-8-11-13-4/h6,8,10-11H,2,5,7,9H2,1,3-4H3/b10-8?,13-11+
InChIKeyHJAJASGFPPFWHI-XRAJXRDMSA-N
XLogP3.63
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.63
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

(Z,5S)-N-ethyl-5-fluoro-6-methylhept-2-en-1-imine
CID 129037792
(E)-N,5-dimethyl-4-propan-2-ylhex-2-en-1-imine
CID 134895402
(E)-N-ethyl-3,4,4-trimethylpent-2-en-1-imine
CID 14919831
(4Z,8Z)-2-tert-butyl-11-methyl-1-azacyclododeca-4,8,12-triene
CID 20537987
(4E,8E)-2-tert-butyl-11-methyl-1-azacyclododeca-4,8,12-triene
CID 22811545
2-Tert-butyl-11-methyl-1-azacyclododeca-4,8,12-triene
CID 57087163
2-Tert-butyl-2,3-dihydropyridine
CID 59160947
(Z)-3-cyclopentyl-N-methylprop-2-en-1-imine
CID 59910597
2,3-ditert-butyl-3-methyl-2H-pyridine
CID 67707010
3,3-Dipropyl-1-azacyclododeca-1,5,9-triene
CID 70540920
(5E,9E)-3-butyl-1-azacyclododeca-1,5,9-triene
CID 70595591
3-Butyl-1-azacyclododeca-1,5,9-triene
CID 70595592

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-N,4-dimethyloct-2-en-1-imine?
The IUPAC name of 4-ethenyl-N,4-dimethyloct-2-en-1-imine (CID 123657818) is 4-ethenyl-N,4-dimethyloct-2-en-1-imine.
What is the SMILES notation for 4-ethenyl-N,4-dimethyloct-2-en-1-imine?
The canonical SMILES for 4-ethenyl-N,4-dimethyloct-2-en-1-imine is C=CC(C)(C=C/C=N/C)CCCC.
What is the InChIKey of 4-ethenyl-N,4-dimethyloct-2-en-1-imine?
The InChIKey is HJAJASGFPPFWHI-XRAJXRDMSA-N. The full InChI is InChI=1S/C12H21N/c1-5-7-9-12(3,6-2)10-8-11-13-4/h6,8,10-11H,2,5,7,9H2,1,3-4H3/b10-8?,13-11+.
What are the key properties of 4-ethenyl-N,4-dimethyloct-2-en-1-imine?
4-ethenyl-N,4-dimethyloct-2-en-1-imine has a molecular weight of 179.31 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-N,4-dimethyloct-2-en-1-imine is sourced from PubChem (CID 123657818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).