4-[(dimethylamino)methyl]-2,4-dimethylhexan-1-ol

C11H25NO — CID 89276532

IUPAC4-[(dimethylamino)methyl]-2,4-dimethylhexan-1-ol
SMILESCCC(C)(CC(C)CO)CN(C)C
InChIInChI=1S/C11H25NO/c1-6-11(3,9-12(4)5)7-10(2)8-13/h10,13H,6-9H2,1-5H3
InChIKeyLARZGVOOIAFOCL-UHFFFAOYSA-N
MW187.33 g/mol
LogP1.98
Rot. Bonds6

About 4-[(dimethylamino)methyl]-2,4-dimethylhexan-1-ol

4-[(dimethylamino)methyl]-2,4-dimethylhexan-1-ol (PubChem CID 89276532) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-2,4-dimethylhexan-1-ol.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-2,4-dimethylhexan-1-ol
PubChem CID89276532
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name4-[(dimethylamino)methyl]-2,4-dimethylhexan-1-ol
SMILESCCC(C)(CC(C)CO)CN(C)C
InChIInChI=1S/C11H25NO/c1-6-11(3,9-12(4)5)7-10(2)8-13/h10,13H,6-9H2,1-5H3
InChIKeyLARZGVOOIAFOCL-UHFFFAOYSA-N
XLogP1.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-2,4-dimethylhexan-1-ol?
The IUPAC name of 4-[(dimethylamino)methyl]-2,4-dimethylhexan-1-ol (CID 89276532) is 4-[(dimethylamino)methyl]-2,4-dimethylhexan-1-ol.
What is the SMILES notation for 4-[(dimethylamino)methyl]-2,4-dimethylhexan-1-ol?
The canonical SMILES for 4-[(dimethylamino)methyl]-2,4-dimethylhexan-1-ol is CCC(C)(CC(C)CO)CN(C)C.
What is the InChIKey of 4-[(dimethylamino)methyl]-2,4-dimethylhexan-1-ol?
The InChIKey is LARZGVOOIAFOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-6-11(3,9-12(4)5)7-10(2)8-13/h10,13H,6-9H2,1-5H3.
What are the key properties of 4-[(dimethylamino)methyl]-2,4-dimethylhexan-1-ol?
4-[(dimethylamino)methyl]-2,4-dimethylhexan-1-ol has a molecular weight of 187.33 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-2,4-dimethylhexan-1-ol is sourced from PubChem (CID 89276532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).