(2S)-1-[ethyl(2-hydroxyethyl)amino]propan-2-ol

C7H17NO2 — CID 106932732

IUPAC(2S)-1-[ethyl(2-hydroxyethyl)amino]propan-2-ol
SMILESCCN(CCO)C[C@H](C)O
InChIInChI=1S/C7H17NO2/c1-3-8(4-5-9)6-7(2)10/h7,9-10H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyKYOOVMQHUPHBNL-ZETCQYMHSA-N
MW147.22 g/mol
LogP-0.32
Rot. Bonds5

About (2S)-1-[ethyl(2-hydroxyethyl)amino]propan-2-ol

(2S)-1-[ethyl(2-hydroxyethyl)amino]propan-2-ol (PubChem CID 106932732) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is (2S)-1-[ethyl(2-hydroxyethyl)amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[ethyl(2-hydroxyethyl)amino]propan-2-ol
PubChem CID106932732
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Name(2S)-1-[ethyl(2-hydroxyethyl)amino]propan-2-ol
SMILESCCN(CCO)C[C@H](C)O
InChIInChI=1S/C7H17NO2/c1-3-8(4-5-9)6-7(2)10/h7,9-10H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyKYOOVMQHUPHBNL-ZETCQYMHSA-N
XLogP-0.32
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[2-hydroxyethyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol
CID 6950665
1-[ethyl(hydroxymethyl)amino]propan-2-ol
CID 22642430
(2S)-1-[ethyl(2-iodoethyl)amino]propan-2-ol
CID 127002205
2-[ethyl(2-methylbutyl)amino]ethanol
CID 62105905
acetic acid;1-[bis(2-hydroxyethyl)amino]propan-2-ol
CID 170839006
(2R)-1-[ethyl(2-methoxyethyl)amino]propan-2-ol
CID 103935037
2-(diethylamino)ethanol;N,N-dimethylethanamine
CID 158783617
2-[2-(dimethylamino)propyl-(2-hydroxyethyl)amino]ethanol
CID 87217560
1-[2-hydroxyethyl(2-hydroxypropyl)amino]decan-2-ol
CID 155427539
1-[hydroxymethyl(propyl)amino]propan-2-ol
CID 22642440
1-[2-hydroxyethyl-[2-(2-hydroxypropoxy)propyl]amino]propan-2-ol
CID 148541643
2-[2-[2-[bis(2-hydroxyethyl)amino]ethyl-ethylamino]ethyl-(2-hydroxyethyl)amino]ethanol
CID 139832318

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[ethyl(2-hydroxyethyl)amino]propan-2-ol?
The IUPAC name of (2S)-1-[ethyl(2-hydroxyethyl)amino]propan-2-ol (CID 106932732) is (2S)-1-[ethyl(2-hydroxyethyl)amino]propan-2-ol.
What is the SMILES notation for (2S)-1-[ethyl(2-hydroxyethyl)amino]propan-2-ol?
The canonical SMILES for (2S)-1-[ethyl(2-hydroxyethyl)amino]propan-2-ol is CCN(CCO)C[C@H](C)O.
What is the InChIKey of (2S)-1-[ethyl(2-hydroxyethyl)amino]propan-2-ol?
The InChIKey is KYOOVMQHUPHBNL-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H17NO2/c1-3-8(4-5-9)6-7(2)10/h7,9-10H,3-6H2,1-2H3/t7-/m0/s1.
What are the key properties of (2S)-1-[ethyl(2-hydroxyethyl)amino]propan-2-ol?
(2S)-1-[ethyl(2-hydroxyethyl)amino]propan-2-ol has a molecular weight of 147.22 g/mol, XLogP of -0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[ethyl(2-hydroxyethyl)amino]propan-2-ol is sourced from PubChem (CID 106932732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).