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

C12H27NO — CID 123553677

IUPAC4-[(dimethylamino)methyl]-2,2,4-trimethylhexan-1-ol
SMILESCCC(C)(CN(C)C)CC(C)(C)CO
InChIInChI=1S/C12H27NO/c1-7-12(4,9-13(5)6)8-11(2,3)10-14/h14H,7-10H2,1-6H3
InChIKeyHOCOQKNICCIBTL-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.37
Rot. Bonds6

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

4-[(dimethylamino)methyl]-2,2,4-trimethylhexan-1-ol (PubChem CID 123553677) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-2,2,4-trimethylhexan-1-ol.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-2,2,4-trimethylhexan-1-ol
PubChem CID123553677
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name4-[(dimethylamino)methyl]-2,2,4-trimethylhexan-1-ol
SMILESCCC(C)(CN(C)C)CC(C)(C)CO
InChIInChI=1S/C12H27NO/c1-7-12(4,9-13(5)6)8-11(2,3)10-14/h14H,7-10H2,1-6H3
InChIKeyHOCOQKNICCIBTL-UHFFFAOYSA-N
XLogP2.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-2,2,4-trimethylhexan-1-ol?
The IUPAC name of 4-[(dimethylamino)methyl]-2,2,4-trimethylhexan-1-ol (CID 123553677) is 4-[(dimethylamino)methyl]-2,2,4-trimethylhexan-1-ol.
What is the SMILES notation for 4-[(dimethylamino)methyl]-2,2,4-trimethylhexan-1-ol?
The canonical SMILES for 4-[(dimethylamino)methyl]-2,2,4-trimethylhexan-1-ol is CCC(C)(CN(C)C)CC(C)(C)CO.
What is the InChIKey of 4-[(dimethylamino)methyl]-2,2,4-trimethylhexan-1-ol?
The InChIKey is HOCOQKNICCIBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-7-12(4,9-13(5)6)8-11(2,3)10-14/h14H,7-10H2,1-6H3.
What are the key properties of 4-[(dimethylamino)methyl]-2,2,4-trimethylhexan-1-ol?
4-[(dimethylamino)methyl]-2,2,4-trimethylhexan-1-ol has a molecular weight of 201.35 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-2,2,4-trimethylhexan-1-ol is sourced from PubChem (CID 123553677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).