3-ethyl-N-hexan-2-ylhex-5-en-1-imine

C14H27N — CID 123780094

IUPAC3-ethyl-N-hexan-2-ylhex-5-en-1-imine
SMILESC=CCC(CC)C/C=N/C(C)CCCC
InChIInChI=1S/C14H27N/c1-5-8-10-13(4)15-12-11-14(7-3)9-6-2/h6,12-14H,2,5,7-11H2,1,3-4H3/b15-12+
InChIKeyUJGZLGBGKPYIMN-NTCAYCPXSA-N
MW209.38 g/mol
LogP4.63
Rot. Bonds9

About 3-ethyl-N-hexan-2-ylhex-5-en-1-imine

3-ethyl-N-hexan-2-ylhex-5-en-1-imine (PubChem CID 123780094) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 3-ethyl-N-hexan-2-ylhex-5-en-1-imine.

Molecular Properties

Compound Name3-ethyl-N-hexan-2-ylhex-5-en-1-imine
PubChem CID123780094
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name3-ethyl-N-hexan-2-ylhex-5-en-1-imine
SMILESC=CCC(CC)C/C=N/C(C)CCCC
InChIInChI=1S/C14H27N/c1-5-8-10-13(4)15-12-11-14(7-3)9-6-2/h6,12-14H,2,5,7-11H2,1,3-4H3/b15-12+
InChIKeyUJGZLGBGKPYIMN-NTCAYCPXSA-N
XLogP4.63
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 ≤ 54.63
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

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N-butyl-5-ethenyloct-7-en-1-imine
CID 89392711
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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
3-ethenyl-4-propyl-3,4-dihydro-2H-pyrrole
CID 123260408
N-(5-methyl-7-propyldec-1-en-4-yl)ethanimine
CID 123276436
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CID 123353284
N-(2-methylbutyl)hex-5-en-1-imine
CID 123382083

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-hexan-2-ylhex-5-en-1-imine?
The IUPAC name of 3-ethyl-N-hexan-2-ylhex-5-en-1-imine (CID 123780094) is 3-ethyl-N-hexan-2-ylhex-5-en-1-imine.
What is the SMILES notation for 3-ethyl-N-hexan-2-ylhex-5-en-1-imine?
The canonical SMILES for 3-ethyl-N-hexan-2-ylhex-5-en-1-imine is C=CCC(CC)C/C=N/C(C)CCCC.
What is the InChIKey of 3-ethyl-N-hexan-2-ylhex-5-en-1-imine?
The InChIKey is UJGZLGBGKPYIMN-NTCAYCPXSA-N. The full InChI is InChI=1S/C14H27N/c1-5-8-10-13(4)15-12-11-14(7-3)9-6-2/h6,12-14H,2,5,7-11H2,1,3-4H3/b15-12+.
What are the key properties of 3-ethyl-N-hexan-2-ylhex-5-en-1-imine?
3-ethyl-N-hexan-2-ylhex-5-en-1-imine has a molecular weight of 209.38 g/mol, XLogP of 4.63, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-hexan-2-ylhex-5-en-1-imine is sourced from PubChem (CID 123780094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).