4-ethyl-2,4-dimethyl-6-(3-methylbutylimino)hexan-2-ol

C15H31NO — CID 137469559

IUPAC4-ethyl-2,4-dimethyl-6-(3-methylbutylimino)hexan-2-ol
SMILESCCC(C)(C/C=N/CCC(C)C)CC(C)(C)O
InChIInChI=1S/C15H31NO/c1-7-15(6,12-14(4,5)17)9-11-16-10-8-13(2)3/h11,13,17H,7-10,12H2,1-6H3/b16-11+
InChIKeyHXLWVUPXVXGVPB-LFIBNONCSA-N
MW241.42 g/mol
LogP4.07
Rot. Bonds8

About 4-ethyl-2,4-dimethyl-6-(3-methylbutylimino)hexan-2-ol

4-ethyl-2,4-dimethyl-6-(3-methylbutylimino)hexan-2-ol (PubChem CID 137469559) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 4-ethyl-2,4-dimethyl-6-(3-methylbutylimino)hexan-2-ol.

Molecular Properties

Compound Name4-ethyl-2,4-dimethyl-6-(3-methylbutylimino)hexan-2-ol
PubChem CID137469559
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name4-ethyl-2,4-dimethyl-6-(3-methylbutylimino)hexan-2-ol
SMILESCCC(C)(C/C=N/CCC(C)C)CC(C)(C)O
InChIInChI=1S/C15H31NO/c1-7-15(6,12-14(4,5)17)9-11-16-10-8-13(2)3/h11,13,17H,7-10,12H2,1-6H3/b16-11+
InChIKeyHXLWVUPXVXGVPB-LFIBNONCSA-N
XLogP4.07
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-4,8-dimethylnon-1-ene
CID 23657619
4-(aminomethyl)-2,4-dimethylhexan-2-ol
CID 89363832
2-methylbutan-2-ol;3-methylbutan-1-ol
CID 159050772
N,N-dimethyl-N'-(3-methylbutyl)methanimidamide
CID 101118140
2,6-dimethyl-4,4-bis(2-methylpropyl)heptane-2,6-diol
CID 15152905
4-[[(E)-[2,4-dimethylpentan-2-yl(methyl)amino]diazenyl]-methylamino]-2,4-dimethylpentan-2-ol
CID 146437345
4-[(2-ethyl-2,4-dimethylpentoxy)methyl]-2,4-dimethylhexane
CID 88745272
2-ethyl-2,6-dimethylheptanethial
CID 57421669
4-ethyl-2,2,4-trimethylhept-6-en-1-ol
CID 91612819
1-chloro-3-ethyl-3,5-dimethylhexane
CID 123958572
2-methyl-1-propyliminobutan-2-ol
CID 118185054
2,5-dimethylhexan-2-ol;ethene
CID 144803935

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,4-dimethyl-6-(3-methylbutylimino)hexan-2-ol?
The IUPAC name of 4-ethyl-2,4-dimethyl-6-(3-methylbutylimino)hexan-2-ol (CID 137469559) is 4-ethyl-2,4-dimethyl-6-(3-methylbutylimino)hexan-2-ol.
What is the SMILES notation for 4-ethyl-2,4-dimethyl-6-(3-methylbutylimino)hexan-2-ol?
The canonical SMILES for 4-ethyl-2,4-dimethyl-6-(3-methylbutylimino)hexan-2-ol is CCC(C)(C/C=N/CCC(C)C)CC(C)(C)O.
What is the InChIKey of 4-ethyl-2,4-dimethyl-6-(3-methylbutylimino)hexan-2-ol?
The InChIKey is HXLWVUPXVXGVPB-LFIBNONCSA-N. The full InChI is InChI=1S/C15H31NO/c1-7-15(6,12-14(4,5)17)9-11-16-10-8-13(2)3/h11,13,17H,7-10,12H2,1-6H3/b16-11+.
What are the key properties of 4-ethyl-2,4-dimethyl-6-(3-methylbutylimino)hexan-2-ol?
4-ethyl-2,4-dimethyl-6-(3-methylbutylimino)hexan-2-ol has a molecular weight of 241.42 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,4-dimethyl-6-(3-methylbutylimino)hexan-2-ol is sourced from PubChem (CID 137469559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).