6-(dimethylamino)-2-methylhexan-2-ol

C9H21NO — CID 13357402

IUPAC6-(dimethylamino)-2-methylhexan-2-ol
SMILESCN(C)CCCCC(C)(C)O
InChIInChI=1S/C9H21NO/c1-9(2,11)7-5-6-8-10(3)4/h11H,5-8H2,1-4H3
InChIKeyWGQGIMTWCPPQAP-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.49
Rot. Bonds5

About 6-(dimethylamino)-2-methylhexan-2-ol

6-(dimethylamino)-2-methylhexan-2-ol (PubChem CID 13357402) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 6-(dimethylamino)-2-methylhexan-2-ol.

Molecular Properties

Compound Name6-(dimethylamino)-2-methylhexan-2-ol
PubChem CID13357402
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name6-(dimethylamino)-2-methylhexan-2-ol
SMILESCN(C)CCCCC(C)(C)O
InChIInChI=1S/C9H21NO/c1-9(2,11)7-5-6-8-10(3)4/h11H,5-8H2,1-4H3
InChIKeyWGQGIMTWCPPQAP-UHFFFAOYSA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-2-methylhexan-2-ol?
The IUPAC name of 6-(dimethylamino)-2-methylhexan-2-ol (CID 13357402) is 6-(dimethylamino)-2-methylhexan-2-ol.
What is the SMILES notation for 6-(dimethylamino)-2-methylhexan-2-ol?
The canonical SMILES for 6-(dimethylamino)-2-methylhexan-2-ol is CN(C)CCCCC(C)(C)O.
What is the InChIKey of 6-(dimethylamino)-2-methylhexan-2-ol?
The InChIKey is WGQGIMTWCPPQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-9(2,11)7-5-6-8-10(3)4/h11H,5-8H2,1-4H3.
What are the key properties of 6-(dimethylamino)-2-methylhexan-2-ol?
6-(dimethylamino)-2-methylhexan-2-ol has a molecular weight of 159.27 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-2-methylhexan-2-ol is sourced from PubChem (CID 13357402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).