(Z)-2-ethyl-N,5-dimethyloct-3-en-1-imine

C12H23N — CID 166744674

IUPAC(Z)-2-ethyl-N,5-dimethyloct-3-en-1-imine
SMILESCCCC(C)/C=C\C(/C=N/C)CC
InChIInChI=1S/C12H23N/c1-5-7-11(3)8-9-12(6-2)10-13-4/h8-12H,5-7H2,1-4H3/b9-8-,13-10+
InChIKeyQHHRXEVLONIAMU-JQHRQWORSA-N
MW181.32 g/mol
LogP3.71
Rot. Bonds6

About (Z)-2-ethyl-N,5-dimethyloct-3-en-1-imine

(Z)-2-ethyl-N,5-dimethyloct-3-en-1-imine (PubChem CID 166744674) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (Z)-2-ethyl-N,5-dimethyloct-3-en-1-imine.

Molecular Properties

Compound Name(Z)-2-ethyl-N,5-dimethyloct-3-en-1-imine
PubChem CID166744674
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(Z)-2-ethyl-N,5-dimethyloct-3-en-1-imine
SMILESCCCC(C)/C=C\C(/C=N/C)CC
InChIInChI=1S/C12H23N/c1-5-7-11(3)8-9-12(6-2)10-13-4/h8-12H,5-7H2,1-4H3/b9-8-,13-10+
InChIKeyQHHRXEVLONIAMU-JQHRQWORSA-N
XLogP3.71
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 ≤ 53.71
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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Frequently Asked Questions

What is the IUPAC name of (Z)-2-ethyl-N,5-dimethyloct-3-en-1-imine?
The IUPAC name of (Z)-2-ethyl-N,5-dimethyloct-3-en-1-imine (CID 166744674) is (Z)-2-ethyl-N,5-dimethyloct-3-en-1-imine.
What is the SMILES notation for (Z)-2-ethyl-N,5-dimethyloct-3-en-1-imine?
The canonical SMILES for (Z)-2-ethyl-N,5-dimethyloct-3-en-1-imine is CCCC(C)/C=C\C(/C=N/C)CC.
What is the InChIKey of (Z)-2-ethyl-N,5-dimethyloct-3-en-1-imine?
The InChIKey is QHHRXEVLONIAMU-JQHRQWORSA-N. The full InChI is InChI=1S/C12H23N/c1-5-7-11(3)8-9-12(6-2)10-13-4/h8-12H,5-7H2,1-4H3/b9-8-,13-10+.
What are the key properties of (Z)-2-ethyl-N,5-dimethyloct-3-en-1-imine?
(Z)-2-ethyl-N,5-dimethyloct-3-en-1-imine has a molecular weight of 181.32 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-ethyl-N,5-dimethyloct-3-en-1-imine is sourced from PubChem (CID 166744674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).