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6-(dimethylamino)-3-methylhexan-1-ol

C9H21NO — CID 57056444

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-(dimethylamino)-3-methylhexan-1-ol
SMILESCC(CCO)CCCN(C)C
InChIInChI=1S/C9H21NO/c1-9(6-8-11)5-4-7-10(2)3/h9,11H,4-8H2,1-3H3
InChIKeyIFXAQBLUBYMZHK-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.35
Rot. Bonds6

About 6-(dimethylamino)-3-methylhexan-1-ol

6-(dimethylamino)-3-methylhexan-1-ol (PubChem CID 57056444) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 6-(dimethylamino)-3-methylhexan-1-ol.

Molecular Properties

Compound Name6-(dimethylamino)-3-methylhexan-1-ol
PubChem CID57056444
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name6-(dimethylamino)-3-methylhexan-1-ol
SMILESCC(CCO)CCCN(C)C
InChIInChI=1S/C9H21NO/c1-9(6-8-11)5-4-7-10(2)3/h9,11H,4-8H2,1-3H3
InChIKeyIFXAQBLUBYMZHK-UHFFFAOYSA-N
XLogP1.35
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-3-methylhexan-1-ol?
The IUPAC name of 6-(dimethylamino)-3-methylhexan-1-ol (CID 57056444) is 6-(dimethylamino)-3-methylhexan-1-ol.
What is the SMILES notation for 6-(dimethylamino)-3-methylhexan-1-ol?
The canonical SMILES for 6-(dimethylamino)-3-methylhexan-1-ol is CC(CCO)CCCN(C)C.
What is the InChIKey of 6-(dimethylamino)-3-methylhexan-1-ol?
The InChIKey is IFXAQBLUBYMZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-9(6-8-11)5-4-7-10(2)3/h9,11H,4-8H2,1-3H3.
What are the key properties of 6-(dimethylamino)-3-methylhexan-1-ol?
6-(dimethylamino)-3-methylhexan-1-ol has a molecular weight of 159.27 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-3-methylhexan-1-ol is sourced from PubChem (CID 57056444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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