1-(propan-2-ylamino)ethanol

C5H13NO — CID 20976152

IUPAC1-(propan-2-ylamino)ethanol
SMILESCC(C)NC(C)O
InChIInChI=1S/C5H13NO/c1-4(2)6-5(3)7/h4-7H,1-3H3
InChIKeyLZAMLBFWTLFDKM-UHFFFAOYSA-N
MW103.17 g/mol
LogP0.32
Rot. Bonds2

About 1-(propan-2-ylamino)ethanol

1-(propan-2-ylamino)ethanol (PubChem CID 20976152) has the molecular formula C5H13NO and a molecular weight of 103.17 g/mol. Its IUPAC name is 1-(propan-2-ylamino)ethanol.

Molecular Properties

Compound Name1-(propan-2-ylamino)ethanol
PubChem CID20976152
Molecular FormulaC5H13NO
Molecular Weight103.17 g/mol
Exact Mass103.10
IUPAC Name1-(propan-2-ylamino)ethanol
SMILESCC(C)NC(C)O
InChIInChI=1S/C5H13NO/c1-4(2)6-5(3)7/h4-7H,1-3H3
InChIKeyLZAMLBFWTLFDKM-UHFFFAOYSA-N
XLogP0.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.17
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(propan-2-ylamino)ethanol?
The IUPAC name of 1-(propan-2-ylamino)ethanol (CID 20976152) is 1-(propan-2-ylamino)ethanol.
What is the SMILES notation for 1-(propan-2-ylamino)ethanol?
The canonical SMILES for 1-(propan-2-ylamino)ethanol is CC(C)NC(C)O.
What is the InChIKey of 1-(propan-2-ylamino)ethanol?
The InChIKey is LZAMLBFWTLFDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO/c1-4(2)6-5(3)7/h4-7H,1-3H3.
What are the key properties of 1-(propan-2-ylamino)ethanol?
1-(propan-2-ylamino)ethanol has a molecular weight of 103.17 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-ylamino)ethanol is sourced from PubChem (CID 20976152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).