(2S)-1-[methyl(propan-2-yl)amino]propan-2-ol

C7H17NO — CID 93346500

IUPAC(2S)-1-[methyl(propan-2-yl)amino]propan-2-ol
SMILESCC(C)N(C)C[C@H](C)O
InChIInChI=1S/C7H17NO/c1-6(2)8(4)5-7(3)9/h6-7,9H,5H2,1-4H3/t7-/m0/s1
InChIKeyMAUZILVBJWIFMT-ZETCQYMHSA-N
MW131.22 g/mol
LogP0.71
Rot. Bonds3

About (2S)-1-[methyl(propan-2-yl)amino]propan-2-ol

(2S)-1-[methyl(propan-2-yl)amino]propan-2-ol (PubChem CID 93346500) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is (2S)-1-[methyl(propan-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[methyl(propan-2-yl)amino]propan-2-ol
PubChem CID93346500
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name(2S)-1-[methyl(propan-2-yl)amino]propan-2-ol
SMILESCC(C)N(C)C[C@H](C)O
InChIInChI=1S/C7H17NO/c1-6(2)8(4)5-7(3)9/h6-7,9H,5H2,1-4H3/t7-/m0/s1
InChIKeyMAUZILVBJWIFMT-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

(2S)-1-[methyl(pentan-2-yl)amino]propan-2-ol
CID 103934964
(2S)-1-[[bis[(2R)-2-hydroxypropyl]amino]-[(2S)-2-hydroxypropyl]amino]propan-2-ol
CID 92557045
(2R,3R,4R,5S)-6-[methyl(propan-2-yl)amino]hexane-1,2,3,4,5-pentol
CID 58957788
1-[[(2S)-1-aminopropan-2-yl]-methylamino]propan-2-ol
CID 130729630
4-[2-hydroxypropyl(methyl)amino]pentanoic acid
CID 62332604
(2S)-1-[1-methoxypropan-2-yl(methyl)amino]propan-2-ol
CID 103935012
(2S)-1-[1-cyclopropylethyl(methyl)amino]propan-2-ol
CID 103934958
CID 166489938
CID 166489938
(2S)-N-methyl-2-methylsulfanyl-N-propan-2-ylpropan-1-amine
CID 166781330
1-[[2-hydroxypropyl(methyl)amino]methyl-methylamino]propan-2-ol
CID 20820329
(2S)-1-[amino(methyl)amino]propan-2-ol
CID 124512357
2-(methylamino)-3-[methyl(propan-2-yl)amino]propan-1-ol
CID 64797175

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[methyl(propan-2-yl)amino]propan-2-ol?
The IUPAC name of (2S)-1-[methyl(propan-2-yl)amino]propan-2-ol (CID 93346500) is (2S)-1-[methyl(propan-2-yl)amino]propan-2-ol.
What is the SMILES notation for (2S)-1-[methyl(propan-2-yl)amino]propan-2-ol?
The canonical SMILES for (2S)-1-[methyl(propan-2-yl)amino]propan-2-ol is CC(C)N(C)C[C@H](C)O.
What is the InChIKey of (2S)-1-[methyl(propan-2-yl)amino]propan-2-ol?
The InChIKey is MAUZILVBJWIFMT-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H17NO/c1-6(2)8(4)5-7(3)9/h6-7,9H,5H2,1-4H3/t7-/m0/s1.
What are the key properties of (2S)-1-[methyl(propan-2-yl)amino]propan-2-ol?
(2S)-1-[methyl(propan-2-yl)amino]propan-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 (2S)-1-[methyl(propan-2-yl)amino]propan-2-ol is sourced from PubChem (CID 93346500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).