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

C7H17NO — CID 6951311

IUPAC(2S)-1-(diethylamino)propan-2-ol
SMILESCCN(CC)C[C@H](C)O
InChIInChI=1S/C7H17NO/c1-4-8(5-2)6-7(3)9/h7,9H,4-6H2,1-3H3/t7-/m0/s1
InChIKeyBHUXAQIVYLDUQV-ZETCQYMHSA-N
MW131.22 g/mol
LogP0.71
Rot. Bonds4

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

(2S)-1-(diethylamino)propan-2-ol (PubChem CID 6951311) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is (2S)-1-(diethylamino)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(diethylamino)propan-2-ol
PubChem CID6951311
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name(2S)-1-(diethylamino)propan-2-ol
SMILESCCN(CC)C[C@H](C)O
InChIInChI=1S/C7H17NO/c1-4-8(5-2)6-7(3)9/h7,9H,4-6H2,1-3H3/t7-/m0/s1
InChIKeyBHUXAQIVYLDUQV-ZETCQYMHSA-N
XLogP0.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

Analyze (2S)-1-(diethylamino)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(diethylamino)propan-2-ol?
The IUPAC name of (2S)-1-(diethylamino)propan-2-ol (CID 6951311) is (2S)-1-(diethylamino)propan-2-ol.
What is the SMILES notation for (2S)-1-(diethylamino)propan-2-ol?
The canonical SMILES for (2S)-1-(diethylamino)propan-2-ol is CCN(CC)C[C@H](C)O.
What is the InChIKey of (2S)-1-(diethylamino)propan-2-ol?
The InChIKey is BHUXAQIVYLDUQV-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H17NO/c1-4-8(5-2)6-7(3)9/h7,9H,4-6H2,1-3H3/t7-/m0/s1.
What are the key properties of (2S)-1-(diethylamino)propan-2-ol?
(2S)-1-(diethylamino)propan-2-ol has a molecular weight of 131.22 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(diethylamino)propan-2-ol is sourced from PubChem (CID 6951311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).