(E)-3-ethyl-N,2-dimethyloct-2-en-1-imine

C12H23N — CID 134424328

IUPAC(E)-3-ethyl-N,2-dimethyloct-2-en-1-imine
SMILESCCCCC/C(CC)=C(C)/C=N/C
InChIInChI=1S/C12H23N/c1-5-7-8-9-12(6-2)11(3)10-13-4/h10H,5-9H2,1-4H3/b12-11+,13-10+
InChIKeyVGKGNQDYLBRSQD-JASOSIDASA-N
MW181.32 g/mol
LogP3.99
Rot. Bonds6

About (E)-3-ethyl-N,2-dimethyloct-2-en-1-imine

(E)-3-ethyl-N,2-dimethyloct-2-en-1-imine (PubChem CID 134424328) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (E)-3-ethyl-N,2-dimethyloct-2-en-1-imine.

Molecular Properties

Compound Name(E)-3-ethyl-N,2-dimethyloct-2-en-1-imine
PubChem CID134424328
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(E)-3-ethyl-N,2-dimethyloct-2-en-1-imine
SMILESCCCCC/C(CC)=C(C)/C=N/C
InChIInChI=1S/C12H23N/c1-5-7-8-9-12(6-2)11(3)10-13-4/h10H,5-9H2,1-4H3/b12-11+,13-10+
InChIKeyVGKGNQDYLBRSQD-JASOSIDASA-N
XLogP3.99
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 ≤ 53.99
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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-ethyl-N,2-dimethyloct-2-en-1-imine?
The IUPAC name of (E)-3-ethyl-N,2-dimethyloct-2-en-1-imine (CID 134424328) is (E)-3-ethyl-N,2-dimethyloct-2-en-1-imine.
What is the SMILES notation for (E)-3-ethyl-N,2-dimethyloct-2-en-1-imine?
The canonical SMILES for (E)-3-ethyl-N,2-dimethyloct-2-en-1-imine is CCCCC/C(CC)=C(C)/C=N/C.
What is the InChIKey of (E)-3-ethyl-N,2-dimethyloct-2-en-1-imine?
The InChIKey is VGKGNQDYLBRSQD-JASOSIDASA-N. The full InChI is InChI=1S/C12H23N/c1-5-7-8-9-12(6-2)11(3)10-13-4/h10H,5-9H2,1-4H3/b12-11+,13-10+.
What are the key properties of (E)-3-ethyl-N,2-dimethyloct-2-en-1-imine?
(E)-3-ethyl-N,2-dimethyloct-2-en-1-imine has a molecular weight of 181.32 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-ethyl-N,2-dimethyloct-2-en-1-imine is sourced from PubChem (CID 134424328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).