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

C7H17NO — CID 130124788

IUPAC(2S)-2-(dimethylamino)-2-methylbutan-1-ol
SMILESCC[C@@](C)(CO)N(C)C
InChIInChI=1S/C7H17NO/c1-5-7(2,6-9)8(3)4/h9H,5-6H2,1-4H3/t7-/m0/s1
InChIKeyXUXZZEYSBYRSFS-ZETCQYMHSA-N
MW131.22 g/mol
LogP0.71
Rot. Bonds3

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

(2S)-2-(dimethylamino)-2-methylbutan-1-ol (PubChem CID 130124788) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is (2S)-2-(dimethylamino)-2-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-(dimethylamino)-2-methylbutan-1-ol
PubChem CID130124788
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name(2S)-2-(dimethylamino)-2-methylbutan-1-ol
SMILESCC[C@@](C)(CO)N(C)C
InChIInChI=1S/C7H17NO/c1-5-7(2,6-9)8(3)4/h9H,5-6H2,1-4H3/t7-/m0/s1
InChIKeyXUXZZEYSBYRSFS-ZETCQYMHSA-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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Related Compounds

2-(diethylamino)-2-methylpropane-1,3-diol
CID 21452281
2-(dimethylamino)-2-methylpentane-1,4-diol
CID 141466310
1-methoxy-N,N,2-trimethylbutan-2-amine
CID 162379488
tert-butyl-[(2R)-1-hydroxy-2-methylbutan-2-yl]carbamic acid
CID 45092001
carbanide;ethane;ethanol;N,N,2-trimethylpropan-2-amine
CID 160615904
2-[(dimethylamino)methyl]-2-methylbutan-1-ol
CID 62270560
N,N,2-trimethyl-1-(oxiran-2-yl)butan-2-amine
CID 130392651
2-amino-2-(dimethylamino)propan-1-ol
CID 169080218
2-(dimethylamino)-2,3-dimethylbutane-1,3-diol
CID 141466339
2-(dimethylamino)propane-1,2,3-triol
CID 118030741
2-[[butyl(methyl)amino]methyl]-2-methylbutan-1-ol
CID 62271452
(2S)-3-(3,4-dichlorophenyl)-2-(dimethylamino)-2-methylpropan-1-ol
CID 10445397

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dimethylamino)-2-methylbutan-1-ol?
The IUPAC name of (2S)-2-(dimethylamino)-2-methylbutan-1-ol (CID 130124788) is (2S)-2-(dimethylamino)-2-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-(dimethylamino)-2-methylbutan-1-ol?
The canonical SMILES for (2S)-2-(dimethylamino)-2-methylbutan-1-ol is CC[C@@](C)(CO)N(C)C.
What is the InChIKey of (2S)-2-(dimethylamino)-2-methylbutan-1-ol?
The InChIKey is XUXZZEYSBYRSFS-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H17NO/c1-5-7(2,6-9)8(3)4/h9H,5-6H2,1-4H3/t7-/m0/s1.
What are the key properties of (2S)-2-(dimethylamino)-2-methylbutan-1-ol?
(2S)-2-(dimethylamino)-2-methylbutan-1-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 (2S)-2-(dimethylamino)-2-methylbutan-1-ol is sourced from PubChem (CID 130124788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).