(2R)-1-amino-3-(diethylamino)propan-2-ol

C7H18N2O — CID 7000197

IUPAC(2R)-1-amino-3-(diethylamino)propan-2-ol
SMILESCCN(CC)C[C@H](O)CN
InChIInChI=1S/C7H18N2O/c1-3-9(4-2)6-7(10)5-8/h7,10H,3-6,8H2,1-2H3/t7-/m1/s1
InChIKeyLEJMOTVCCRDZNE-SSDOTTSWSA-N
MW146.23 g/mol
LogP-0.35
Rot. Bonds5

About (2R)-1-amino-3-(diethylamino)propan-2-ol

(2R)-1-amino-3-(diethylamino)propan-2-ol (PubChem CID 7000197) has the molecular formula C7H18N2O and a molecular weight of 146.23 g/mol. Its IUPAC name is (2R)-1-amino-3-(diethylamino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-amino-3-(diethylamino)propan-2-ol
PubChem CID7000197
Molecular FormulaC7H18N2O
Molecular Weight146.23 g/mol
Exact Mass146.14
IUPAC Name(2R)-1-amino-3-(diethylamino)propan-2-ol
SMILESCCN(CC)C[C@H](O)CN
InChIInChI=1S/C7H18N2O/c1-3-9(4-2)6-7(10)5-8/h7,10H,3-6,8H2,1-2H3/t7-/m1/s1
InChIKeyLEJMOTVCCRDZNE-SSDOTTSWSA-N
XLogP-0.35
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-[ethyl(2-methylpropyl)amino]propan-2-ol
CID 43273601
6-amino-1-(diethylamino)hexane-2,3,5-triol
CID 19100456
1-amino-3-[ethyl(2-methoxyethyl)amino]propan-2-ol
CID 61447893
1-amino-3-[5,5-dimethylhexyl(ethyl)amino]propan-2-ol
CID 58761117
3-(diethylamino)propane-1,2-diol;hydrochloride
CID 174870807
1,4-bis(diethylamino)butane-1,3-diol
CID 91528509
2-(diethylamino)ethane-1,1-diol;hydrobromide
CID 175089044
1-[aminomethyl(2-hydroxybutyl)amino]butan-2-ol
CID 178085063
1-amino-3-[cyclopentyl(ethyl)amino]propan-2-ol
CID 43541005
(2S)-1-amino-3-[tetradecyl-[4-(tetradecylamino)butyl]amino]propan-2-ol
CID 155441245
1-amino-3-[1-aminobutyl-(3-amino-2-hydroxypropyl)amino]propan-2-ol
CID 90117860
8-(diethylamino)octane-1,7-diol
CID 19030812

Frequently Asked Questions

What is the IUPAC name of (2R)-1-amino-3-(diethylamino)propan-2-ol?
The IUPAC name of (2R)-1-amino-3-(diethylamino)propan-2-ol (CID 7000197) is (2R)-1-amino-3-(diethylamino)propan-2-ol.
What is the SMILES notation for (2R)-1-amino-3-(diethylamino)propan-2-ol?
The canonical SMILES for (2R)-1-amino-3-(diethylamino)propan-2-ol is CCN(CC)C[C@H](O)CN.
What is the InChIKey of (2R)-1-amino-3-(diethylamino)propan-2-ol?
The InChIKey is LEJMOTVCCRDZNE-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H18N2O/c1-3-9(4-2)6-7(10)5-8/h7,10H,3-6,8H2,1-2H3/t7-/m1/s1.
What are the key properties of (2R)-1-amino-3-(diethylamino)propan-2-ol?
(2R)-1-amino-3-(diethylamino)propan-2-ol has a molecular weight of 146.23 g/mol, XLogP of -0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-amino-3-(diethylamino)propan-2-ol is sourced from PubChem (CID 7000197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).