3-butan-2-ylidene-4-ethyloctan-2-imine

C14H27N — CID 178160520

IUPAC3-butan-2-ylidene-4-ethyloctan-2-imine
SMILES[H]/N=C(\C)C(=C(C)CC)C(CC)CCCC
InChIInChI=1S/C14H27N/c1-6-9-10-13(8-3)14(12(5)15)11(4)7-2/h13,15H,6-10H2,1-5H3/b14-11?,15-12+
InChIKeyLFHYJDXZIZXNLR-HAGDBLCVSA-N
MW209.38 g/mol
LogP4.97
Rot. Bonds7

About 3-butan-2-ylidene-4-ethyloctan-2-imine

3-butan-2-ylidene-4-ethyloctan-2-imine (PubChem CID 178160520) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 3-butan-2-ylidene-4-ethyloctan-2-imine.

Molecular Properties

Compound Name3-butan-2-ylidene-4-ethyloctan-2-imine
PubChem CID178160520
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name3-butan-2-ylidene-4-ethyloctan-2-imine
SMILES[H]/N=C(\C)C(=C(C)CC)C(CC)CCCC
InChIInChI=1S/C14H27N/c1-6-9-10-13(8-3)14(12(5)15)11(4)7-2/h13,15H,6-10H2,1-5H3/b14-11?,15-12+
InChIKeyLFHYJDXZIZXNLR-HAGDBLCVSA-N
XLogP4.97
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-Ethylidene-6-fluoro-6-methyl-5-prop-1-en-2-yloctan-2-imine
CID 91340707
1-(3,3-Difluoro-2,4-dimethylcyclopenten-1-yl)ethanimine
CID 139425184
2-Fluoro-1-(3-fluoro-2,4,5-trimethylcyclopenten-1-yl)ethanimine
CID 169992369
2-[(E)-4,4-difluoro-2,3-dimethylpent-2-enyl]cyclopentan-1-imine
CID 170008157
2-(3,3-Difluorocyclobutyl)-4,5-dimethylhept-4-en-3-imine;ethane
CID 178168484
1-Cyclohexyl-imino-2-butene
CID 129765474
3-Butan-2-ylidene-4-ethyl-5,5-difluoro-8-methyldecan-2-imine
CID 178159868
2-(3,3-Difluorocyclobutyl)-4,5-dimethylhept-4-en-3-imine
CID 178168485
3,5-Dimethylcyclohex-2-en-1-imine
CID 12562472
2-Heptan-2-ylcyclohexa-2,5-diene-1,4-diimine
CID 69973378
(6Z)-2-ethyl-6-[(Z)-2-ethylbut-2-enylidene]cyclohexan-1-imine
CID 87690054
4-(2-Methyl-5-prop-1-en-2-ylcyclopenten-1-yl)butan-2-imine
CID 89084617

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-ylidene-4-ethyloctan-2-imine?
The IUPAC name of 3-butan-2-ylidene-4-ethyloctan-2-imine (CID 178160520) is 3-butan-2-ylidene-4-ethyloctan-2-imine.
What is the SMILES notation for 3-butan-2-ylidene-4-ethyloctan-2-imine?
The canonical SMILES for 3-butan-2-ylidene-4-ethyloctan-2-imine is [H]/N=C(\C)C(=C(C)CC)C(CC)CCCC.
What is the InChIKey of 3-butan-2-ylidene-4-ethyloctan-2-imine?
The InChIKey is LFHYJDXZIZXNLR-HAGDBLCVSA-N. The full InChI is InChI=1S/C14H27N/c1-6-9-10-13(8-3)14(12(5)15)11(4)7-2/h13,15H,6-10H2,1-5H3/b14-11?,15-12+.
What are the key properties of 3-butan-2-ylidene-4-ethyloctan-2-imine?
3-butan-2-ylidene-4-ethyloctan-2-imine has a molecular weight of 209.38 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-ylidene-4-ethyloctan-2-imine is sourced from PubChem (CID 178160520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).