1-(1-hydroxypropylamino)propan-1-ol

C6H15NO2 — CID 18183751

IUPAC1-(1-hydroxypropylamino)propan-1-ol
SMILESCCC(O)NC(O)CC
InChIInChI=1S/C6H15NO2/c1-3-5(8)7-6(9)4-2/h5-9H,3-4H2,1-2H3
InChIKeyXQBZHSJBHHUNSO-UHFFFAOYSA-N
MW133.19 g/mol
LogP0.03
Rot. Bonds4

About 1-(1-hydroxypropylamino)propan-1-ol

1-(1-hydroxypropylamino)propan-1-ol (PubChem CID 18183751) has the molecular formula C6H15NO2 and a molecular weight of 133.19 g/mol. Its IUPAC name is 1-(1-hydroxypropylamino)propan-1-ol.

Molecular Properties

Compound Name1-(1-hydroxypropylamino)propan-1-ol
PubChem CID18183751
Molecular FormulaC6H15NO2
Molecular Weight133.19 g/mol
Exact Mass133.11
IUPAC Name1-(1-hydroxypropylamino)propan-1-ol
SMILESCCC(O)NC(O)CC
InChIInChI=1S/C6H15NO2/c1-3-5(8)7-6(9)4-2/h5-9H,3-4H2,1-2H3
InChIKeyXQBZHSJBHHUNSO-UHFFFAOYSA-N
XLogP0.03
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 50.03
H-Bond Donors ≤ 53
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-hydroxypropylamino)propan-1-ol?
The IUPAC name of 1-(1-hydroxypropylamino)propan-1-ol (CID 18183751) is 1-(1-hydroxypropylamino)propan-1-ol.
What is the SMILES notation for 1-(1-hydroxypropylamino)propan-1-ol?
The canonical SMILES for 1-(1-hydroxypropylamino)propan-1-ol is CCC(O)NC(O)CC.
What is the InChIKey of 1-(1-hydroxypropylamino)propan-1-ol?
The InChIKey is XQBZHSJBHHUNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2/c1-3-5(8)7-6(9)4-2/h5-9H,3-4H2,1-2H3.
What are the key properties of 1-(1-hydroxypropylamino)propan-1-ol?
1-(1-hydroxypropylamino)propan-1-ol has a molecular weight of 133.19 g/mol, XLogP of 0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxypropylamino)propan-1-ol is sourced from PubChem (CID 18183751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).