(2S)-2-amino-2,3,3-trimethylbutan-1-ol

C7H17NO — CID 45072298

IUPAC(2S)-2-amino-2,3,3-trimethylbutan-1-ol
SMILESCC(C)(C)[C@](C)(N)CO
InChIInChI=1S/C7H17NO/c1-6(2,3)7(4,8)5-9/h9H,5,8H2,1-4H3/t7-/m1/s1
InChIKeyMYIFAFOUNLOFFY-SSDOTTSWSA-N
MW131.22 g/mol
LogP0.74
Rot. Bonds1

About (2S)-2-amino-2,3,3-trimethylbutan-1-ol

(2S)-2-amino-2,3,3-trimethylbutan-1-ol (PubChem CID 45072298) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is (2S)-2-amino-2,3,3-trimethylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-2,3,3-trimethylbutan-1-ol
PubChem CID45072298
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name(2S)-2-amino-2,3,3-trimethylbutan-1-ol
SMILESCC(C)(C)[C@](C)(N)CO
InChIInChI=1S/C7H17NO/c1-6(2,3)7(4,8)5-9/h9H,5,8H2,1-4H3/t7-/m1/s1
InChIKeyMYIFAFOUNLOFFY-SSDOTTSWSA-N
XLogP0.74
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3,3,3-trifluoro-2-methylpropan-1-ol
CID 96565633
2-amino-2-methylpropane-1,3-diol;azane
CID 172847501
2-amino-2-methylpropane-1,3-diol;hydrate
CID 173189946
2-amino-2-methanidylpropan-1-ol;gold(1+)
CID 88844237
2,2-bis(2-aminopropan-2-yl)propane-1,3-diol
CID 88802194
2-amino-2-methylpropan-1-ol;carbonic acid
CID 21330274
2-amino-2-(dimethylamino)propan-1-ol
CID 169080218
2-amino-2-methylpropane-1,3-diol;propan-2-ol
CID 18519501
2-amino-1,1-dideuterio-2-methylpropan-1-ol
CID 140648531
alumane;2,2-dimethylpropan-1-ol
CID 174479314
2-(hydroxymethyl)-2-methylpropane-1,3-diol
CID 118432348
2-amino-2,4-dimethylpentane-1,4-diol
CID 134172713

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2,3,3-trimethylbutan-1-ol?
The IUPAC name of (2S)-2-amino-2,3,3-trimethylbutan-1-ol (CID 45072298) is (2S)-2-amino-2,3,3-trimethylbutan-1-ol.
What is the SMILES notation for (2S)-2-amino-2,3,3-trimethylbutan-1-ol?
The canonical SMILES for (2S)-2-amino-2,3,3-trimethylbutan-1-ol is CC(C)(C)[C@](C)(N)CO.
What is the InChIKey of (2S)-2-amino-2,3,3-trimethylbutan-1-ol?
The InChIKey is MYIFAFOUNLOFFY-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H17NO/c1-6(2,3)7(4,8)5-9/h9H,5,8H2,1-4H3/t7-/m1/s1.
What are the key properties of (2S)-2-amino-2,3,3-trimethylbutan-1-ol?
(2S)-2-amino-2,3,3-trimethylbutan-1-ol has a molecular weight of 131.22 g/mol, XLogP of 0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2,3,3-trimethylbutan-1-ol is sourced from PubChem (CID 45072298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).