(3S)-3-(dimethylamino)butan-1-ol

C6H15NO — CID 36689292

IUPAC(3S)-3-(dimethylamino)butan-1-ol
SMILESC[C@@H](CCO)N(C)C
InChIInChI=1S/C6H15NO/c1-6(4-5-8)7(2)3/h6,8H,4-5H2,1-3H3/t6-/m0/s1
InChIKeyQTTKJYGPXLCJNF-LURJTMIESA-N
MW117.19 g/mol
LogP0.32
Rot. Bonds3

About (3S)-3-(dimethylamino)butan-1-ol

(3S)-3-(dimethylamino)butan-1-ol (PubChem CID 36689292) has the molecular formula C6H15NO and a molecular weight of 117.19 g/mol. Its IUPAC name is (3S)-3-(dimethylamino)butan-1-ol.

Molecular Properties

Compound Name(3S)-3-(dimethylamino)butan-1-ol
PubChem CID36689292
Molecular FormulaC6H15NO
Molecular Weight117.19 g/mol
Exact Mass117.12
IUPAC Name(3S)-3-(dimethylamino)butan-1-ol
SMILESC[C@@H](CCO)N(C)C
InChIInChI=1S/C6H15NO/c1-6(4-5-8)7(2)3/h6,8H,4-5H2,1-3H3/t6-/m0/s1
InChIKeyQTTKJYGPXLCJNF-LURJTMIESA-N
XLogP0.32
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.19
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(dimethylamino)butan-1-ol?
The IUPAC name of (3S)-3-(dimethylamino)butan-1-ol (CID 36689292) is (3S)-3-(dimethylamino)butan-1-ol.
What is the SMILES notation for (3S)-3-(dimethylamino)butan-1-ol?
The canonical SMILES for (3S)-3-(dimethylamino)butan-1-ol is C[C@@H](CCO)N(C)C.
What is the InChIKey of (3S)-3-(dimethylamino)butan-1-ol?
The InChIKey is QTTKJYGPXLCJNF-LURJTMIESA-N. The full InChI is InChI=1S/C6H15NO/c1-6(4-5-8)7(2)3/h6,8H,4-5H2,1-3H3/t6-/m0/s1.
What are the key properties of (3S)-3-(dimethylamino)butan-1-ol?
(3S)-3-(dimethylamino)butan-1-ol has a molecular weight of 117.19 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(dimethylamino)butan-1-ol is sourced from PubChem (CID 36689292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).