4-(dimethylamino)-2-methylbutan-2-ol

C7H17NO — CID 12545360

IUPAC4-(dimethylamino)-2-methylbutan-2-ol
SMILESCN(C)CCC(C)(C)O
InChIInChI=1S/C7H17NO/c1-7(2,9)5-6-8(3)4/h9H,5-6H2,1-4H3
InChIKeyRJQUVLWORVOTCF-UHFFFAOYSA-N
MW131.22 g/mol
LogP0.71
Rot. Bonds3

About 4-(dimethylamino)-2-methylbutan-2-ol

4-(dimethylamino)-2-methylbutan-2-ol (PubChem CID 12545360) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is 4-(dimethylamino)-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-(dimethylamino)-2-methylbutan-2-ol
PubChem CID12545360
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name4-(dimethylamino)-2-methylbutan-2-ol
SMILESCN(C)CCC(C)(C)O
InChIInChI=1S/C7H17NO/c1-7(2,9)5-6-8(3)4/h9H,5-6H2,1-4H3
InChIKeyRJQUVLWORVOTCF-UHFFFAOYSA-N
XLogP0.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2-methylbutan-2-ol?
The IUPAC name of 4-(dimethylamino)-2-methylbutan-2-ol (CID 12545360) is 4-(dimethylamino)-2-methylbutan-2-ol.
What is the SMILES notation for 4-(dimethylamino)-2-methylbutan-2-ol?
The canonical SMILES for 4-(dimethylamino)-2-methylbutan-2-ol is CN(C)CCC(C)(C)O.
What is the InChIKey of 4-(dimethylamino)-2-methylbutan-2-ol?
The InChIKey is RJQUVLWORVOTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO/c1-7(2,9)5-6-8(3)4/h9H,5-6H2,1-4H3.
What are the key properties of 4-(dimethylamino)-2-methylbutan-2-ol?
4-(dimethylamino)-2-methylbutan-2-ol has a molecular weight of 131.22 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2-methylbutan-2-ol is sourced from PubChem (CID 12545360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).