4,6,7-trimethyldec-8-en-5-imine

C13H25N — CID 123296608

IUPAC4,6,7-trimethyldec-8-en-5-imine
SMILES[H]/N=C(\C(C)CCC)C(C)C(C)C=CC
InChIInChI=1S/C13H25N/c1-6-8-10(3)12(5)13(14)11(4)9-7-2/h6,8,10-12,14H,7,9H2,1-5H3/b8-6?,14-13+
InChIKeyBHBBVPSIHNSBIM-IVSSQYLWSA-N
MW195.35 g/mol
LogP4.29
Rot. Bonds6

About 4,6,7-trimethyldec-8-en-5-imine

4,6,7-trimethyldec-8-en-5-imine (PubChem CID 123296608) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 4,6,7-trimethyldec-8-en-5-imine.

Molecular Properties

Compound Name4,6,7-trimethyldec-8-en-5-imine
PubChem CID123296608
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name4,6,7-trimethyldec-8-en-5-imine
SMILES[H]/N=C(\C(C)CCC)C(C)C(C)C=CC
InChIInChI=1S/C13H25N/c1-6-8-10(3)12(5)13(14)11(4)9-7-2/h6,8,10-12,14H,7,9H2,1-5H3/b8-6?,14-13+
InChIKeyBHBBVPSIHNSBIM-IVSSQYLWSA-N
XLogP4.29
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 54.29
H-Bond Donors ≤ 51
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

3-Ethylidene-6-fluoro-6-methyl-5-prop-1-en-2-yloctan-2-imine
CID 91340707
(E)-6-fluoro-3-(2-methylpropyl)-5-propylnon-6-en-2-imine
CID 163433107
1-Cyclohexyl-imino-2-butene
CID 129765474
(Z)-6-ethyl-7-(fluoromethyl)-N-methylundec-8-en-5-imine
CID 143491208
2,6-Di(propan-2-yl)cyclohexa-2,4-dien-1-imine
CID 17962987
19,21-Dimethyl-19,21-bis(2-methylpropyl)nonatriaconta-9,30-dien-20-imine
CID 54130774
2-Ethyl-4-methylcyclohex-2-en-1-imine
CID 57087859
2-Cyclohex-2-en-1-yl-2,4-dimethylhexan-3-imine
CID 58555275
(3S)-3-(4-octylcyclohexa-2,4-dien-1-yl)cyclopentan-1-imine
CID 68219189
2-Heptan-2-ylcyclohexa-2,5-diene-1,4-diimine
CID 69973378
(4R)-2-[(1S)-cyclohex-2-en-1-yl]-2,4-dimethylhexan-3-imine
CID 87279105
(4S)-2-cyclohex-2-en-1-yl-2,4-dimethylhexan-3-imine
CID 87279106

Frequently Asked Questions

What is the IUPAC name of 4,6,7-trimethyldec-8-en-5-imine?
The IUPAC name of 4,6,7-trimethyldec-8-en-5-imine (CID 123296608) is 4,6,7-trimethyldec-8-en-5-imine.
What is the SMILES notation for 4,6,7-trimethyldec-8-en-5-imine?
The canonical SMILES for 4,6,7-trimethyldec-8-en-5-imine is [H]/N=C(\C(C)CCC)C(C)C(C)C=CC.
What is the InChIKey of 4,6,7-trimethyldec-8-en-5-imine?
The InChIKey is BHBBVPSIHNSBIM-IVSSQYLWSA-N. The full InChI is InChI=1S/C13H25N/c1-6-8-10(3)12(5)13(14)11(4)9-7-2/h6,8,10-12,14H,7,9H2,1-5H3/b8-6?,14-13+.
What are the key properties of 4,6,7-trimethyldec-8-en-5-imine?
4,6,7-trimethyldec-8-en-5-imine has a molecular weight of 195.35 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,7-trimethyldec-8-en-5-imine is sourced from PubChem (CID 123296608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).