4-ethyl-5-methyl-N-pent-2-enylhexan-3-imine

C14H27N — CID 123415924

IUPAC4-ethyl-5-methyl-N-pent-2-enylhexan-3-imine
SMILESCCC=CC/N=C(\CC)C(CC)C(C)C
InChIInChI=1S/C14H27N/c1-6-9-10-11-15-14(8-3)13(7-2)12(4)5/h9-10,12-13H,6-8,11H2,1-5H3/b10-9?,15-14+
InChIKeyFJTPRZHFWBRLRI-SBMLJQJQSA-N
MW209.38 g/mol
LogP4.49
Rot. Bonds7

About 4-ethyl-5-methyl-N-pent-2-enylhexan-3-imine

4-ethyl-5-methyl-N-pent-2-enylhexan-3-imine (PubChem CID 123415924) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 4-ethyl-5-methyl-N-pent-2-enylhexan-3-imine.

Molecular Properties

Compound Name4-ethyl-5-methyl-N-pent-2-enylhexan-3-imine
PubChem CID123415924
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name4-ethyl-5-methyl-N-pent-2-enylhexan-3-imine
SMILESCCC=CC/N=C(\CC)C(CC)C(C)C
InChIInChI=1S/C14H27N/c1-6-9-10-11-15-14(8-3)13(7-2)12(4)5/h9-10,12-13H,6-8,11H2,1-5H3/b10-9?,15-14+
InChIKeyFJTPRZHFWBRLRI-SBMLJQJQSA-N
XLogP4.49
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 54.49
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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CID 90920243
6-(3-Methylbutan-2-yl)-2,3-dihydropyridine
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CID 91168305
3-Butan-2-ylhex-4-en-2-ylidene(dimethyl)azanium
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CID 117619852

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-N-pent-2-enylhexan-3-imine?
The IUPAC name of 4-ethyl-5-methyl-N-pent-2-enylhexan-3-imine (CID 123415924) is 4-ethyl-5-methyl-N-pent-2-enylhexan-3-imine.
What is the SMILES notation for 4-ethyl-5-methyl-N-pent-2-enylhexan-3-imine?
The canonical SMILES for 4-ethyl-5-methyl-N-pent-2-enylhexan-3-imine is CCC=CC/N=C(\CC)C(CC)C(C)C.
What is the InChIKey of 4-ethyl-5-methyl-N-pent-2-enylhexan-3-imine?
The InChIKey is FJTPRZHFWBRLRI-SBMLJQJQSA-N. The full InChI is InChI=1S/C14H27N/c1-6-9-10-11-15-14(8-3)13(7-2)12(4)5/h9-10,12-13H,6-8,11H2,1-5H3/b10-9?,15-14+.
What are the key properties of 4-ethyl-5-methyl-N-pent-2-enylhexan-3-imine?
4-ethyl-5-methyl-N-pent-2-enylhexan-3-imine has a molecular weight of 209.38 g/mol, XLogP of 4.49, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-N-pent-2-enylhexan-3-imine is sourced from PubChem (CID 123415924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).