1-(dimethylamino)-2-methylbutan-2-ol

C7H17NO — CID 3018499

IUPAC1-(dimethylamino)-2-methylbutan-2-ol
SMILESCCC(C)(O)CN(C)C
InChIInChI=1S/C7H17NO/c1-5-7(2,9)6-8(3)4/h9H,5-6H2,1-4H3
InChIKeyAGXSAKYCANEZGX-UHFFFAOYSA-N
MW131.22 g/mol
LogP0.71
Rot. Bonds3

About 1-(dimethylamino)-2-methylbutan-2-ol

1-(dimethylamino)-2-methylbutan-2-ol (PubChem CID 3018499) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is 1-(dimethylamino)-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-2-methylbutan-2-ol
PubChem CID3018499
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name1-(dimethylamino)-2-methylbutan-2-ol
SMILESCCC(C)(O)CN(C)C
InChIInChI=1S/C7H17NO/c1-5-7(2,9)6-8(3)4/h9H,5-6H2,1-4H3
InChIKeyAGXSAKYCANEZGX-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 1-(dimethylamino)-2-methylbutan-2-ol?
The IUPAC name of 1-(dimethylamino)-2-methylbutan-2-ol (CID 3018499) is 1-(dimethylamino)-2-methylbutan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-2-methylbutan-2-ol?
The canonical SMILES for 1-(dimethylamino)-2-methylbutan-2-ol is CCC(C)(O)CN(C)C.
What is the InChIKey of 1-(dimethylamino)-2-methylbutan-2-ol?
The InChIKey is AGXSAKYCANEZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO/c1-5-7(2,9)6-8(3)4/h9H,5-6H2,1-4H3.
What are the key properties of 1-(dimethylamino)-2-methylbutan-2-ol?
1-(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 1-(dimethylamino)-2-methylbutan-2-ol is sourced from PubChem (CID 3018499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).