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

C5H13NO — CID 6950248

IUPAC(2S)-1-(dimethylamino)propan-2-ol
SMILESC[C@H](O)CN(C)C
InChIInChI=1S/C5H13NO/c1-5(7)4-6(2)3/h5,7H,4H2,1-3H3/t5-/m0/s1
InChIKeyNCXUNZWLEYGQAH-YFKPBYRVSA-N
MW103.17 g/mol
LogP-0.07
Rot. Bonds2

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

(2S)-1-(dimethylamino)propan-2-ol (PubChem CID 6950248) has the molecular formula C5H13NO and a molecular weight of 103.17 g/mol. Its IUPAC name is (2S)-1-(dimethylamino)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(dimethylamino)propan-2-ol
PubChem CID6950248
Molecular FormulaC5H13NO
Molecular Weight103.17 g/mol
Exact Mass103.10
IUPAC Name(2S)-1-(dimethylamino)propan-2-ol
SMILESC[C@H](O)CN(C)C
InChIInChI=1S/C5H13NO/c1-5(7)4-6(2)3/h5,7H,4H2,1-3H3/t5-/m0/s1
InChIKeyNCXUNZWLEYGQAH-YFKPBYRVSA-N
XLogP-0.07
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.17
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(dimethylamino)propan-2-ol?
The IUPAC name of (2S)-1-(dimethylamino)propan-2-ol (CID 6950248) is (2S)-1-(dimethylamino)propan-2-ol.
What is the SMILES notation for (2S)-1-(dimethylamino)propan-2-ol?
The canonical SMILES for (2S)-1-(dimethylamino)propan-2-ol is C[C@H](O)CN(C)C.
What is the InChIKey of (2S)-1-(dimethylamino)propan-2-ol?
The InChIKey is NCXUNZWLEYGQAH-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H13NO/c1-5(7)4-6(2)3/h5,7H,4H2,1-3H3/t5-/m0/s1.
What are the key properties of (2S)-1-(dimethylamino)propan-2-ol?
(2S)-1-(dimethylamino)propan-2-ol has a molecular weight of 103.17 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(dimethylamino)propan-2-ol is sourced from PubChem (CID 6950248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).