1-[1-hydroxyethyl(propan-2-yl)amino]ethanol

C7H17NO2 — CID 57090083

IUPAC1-[1-hydroxyethyl(propan-2-yl)amino]ethanol
SMILESCC(C)N(C(C)O)C(C)O
InChIInChI=1S/C7H17NO2/c1-5(2)8(6(3)9)7(4)10/h5-7,9-10H,1-4H3
InChIKeyQTTUPXGWVYUONM-UHFFFAOYSA-N
MW147.22 g/mol
LogP0.37
Rot. Bonds3

About 1-[1-hydroxyethyl(propan-2-yl)amino]ethanol

1-[1-hydroxyethyl(propan-2-yl)amino]ethanol (PubChem CID 57090083) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is 1-[1-hydroxyethyl(propan-2-yl)amino]ethanol.

Molecular Properties

Compound Name1-[1-hydroxyethyl(propan-2-yl)amino]ethanol
PubChem CID57090083
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Name1-[1-hydroxyethyl(propan-2-yl)amino]ethanol
SMILESCC(C)N(C(C)O)C(C)O
InChIInChI=1S/C7H17NO2/c1-5(2)8(6(3)9)7(4)10/h5-7,9-10H,1-4H3
InChIKeyQTTUPXGWVYUONM-UHFFFAOYSA-N
XLogP0.37
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-hydroxyethyl(propan-2-yl)amino]ethanol?
The IUPAC name of 1-[1-hydroxyethyl(propan-2-yl)amino]ethanol (CID 57090083) is 1-[1-hydroxyethyl(propan-2-yl)amino]ethanol.
What is the SMILES notation for 1-[1-hydroxyethyl(propan-2-yl)amino]ethanol?
The canonical SMILES for 1-[1-hydroxyethyl(propan-2-yl)amino]ethanol is CC(C)N(C(C)O)C(C)O.
What is the InChIKey of 1-[1-hydroxyethyl(propan-2-yl)amino]ethanol?
The InChIKey is QTTUPXGWVYUONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2/c1-5(2)8(6(3)9)7(4)10/h5-7,9-10H,1-4H3.
What are the key properties of 1-[1-hydroxyethyl(propan-2-yl)amino]ethanol?
1-[1-hydroxyethyl(propan-2-yl)amino]ethanol has a molecular weight of 147.22 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-hydroxyethyl(propan-2-yl)amino]ethanol is sourced from PubChem (CID 57090083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).