(2S)-3,3-dimethyl-2-(methylamino)butan-1-ol

C7H17NO — CID 55298685

IUPAC(2S)-3,3-dimethyl-2-(methylamino)butan-1-ol
SMILESCN[C@H](CO)C(C)(C)C
InChIInChI=1S/C7H17NO/c1-7(2,3)6(5-9)8-4/h6,8-9H,5H2,1-4H3/t6-/m1/s1
InChIKeyQPEVEJCNPXGGBV-ZCFIWIBFSA-N
MW131.22 g/mol
LogP0.61
Rot. Bonds2

About (2S)-3,3-dimethyl-2-(methylamino)butan-1-ol

(2S)-3,3-dimethyl-2-(methylamino)butan-1-ol (PubChem CID 55298685) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is (2S)-3,3-dimethyl-2-(methylamino)butan-1-ol.

Molecular Properties

Compound Name(2S)-3,3-dimethyl-2-(methylamino)butan-1-ol
PubChem CID55298685
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name(2S)-3,3-dimethyl-2-(methylamino)butan-1-ol
SMILESCN[C@H](CO)C(C)(C)C
InChIInChI=1S/C7H17NO/c1-7(2,3)6(5-9)8-4/h6,8-9H,5H2,1-4H3/t6-/m1/s1
InChIKeyQPEVEJCNPXGGBV-ZCFIWIBFSA-N
XLogP0.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-3,3-dimethyl-2-(methylamino)butan-1-ol?
The IUPAC name of (2S)-3,3-dimethyl-2-(methylamino)butan-1-ol (CID 55298685) is (2S)-3,3-dimethyl-2-(methylamino)butan-1-ol.
What is the SMILES notation for (2S)-3,3-dimethyl-2-(methylamino)butan-1-ol?
The canonical SMILES for (2S)-3,3-dimethyl-2-(methylamino)butan-1-ol is CN[C@H](CO)C(C)(C)C.
What is the InChIKey of (2S)-3,3-dimethyl-2-(methylamino)butan-1-ol?
The InChIKey is QPEVEJCNPXGGBV-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H17NO/c1-7(2,3)6(5-9)8-4/h6,8-9H,5H2,1-4H3/t6-/m1/s1.
What are the key properties of (2S)-3,3-dimethyl-2-(methylamino)butan-1-ol?
(2S)-3,3-dimethyl-2-(methylamino)butan-1-ol has a molecular weight of 131.22 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3,3-dimethyl-2-(methylamino)butan-1-ol is sourced from PubChem (CID 55298685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).