1-(propylamino)ethanol

C5H13NO — CID 19885411

IUPAC1-(propylamino)ethanol
SMILESCCCNC(C)O
InChIInChI=1S/C5H13NO/c1-3-4-6-5(2)7/h5-7H,3-4H2,1-2H3
InChIKeyYLLVPHVZPCGVQN-UHFFFAOYSA-N
MW103.16 g/mol
LogP0.32
Rot. Bonds3

About 1-(propylamino)ethanol

1-(propylamino)ethanol (PubChem CID 19885411) has the molecular formula C5H13NO and a molecular weight of 103.16 g/mol. Its IUPAC name is 1-(propylamino)ethanol.

Molecular Properties

Compound Name1-(propylamino)ethanol
PubChem CID19885411
Molecular FormulaC5H13NO
Molecular Weight103.16 g/mol
Exact Mass103.10
IUPAC Name1-(propylamino)ethanol
SMILESCCCNC(C)O
InChIInChI=1S/C5H13NO/c1-3-4-6-5(2)7/h5-7H,3-4H2,1-2H3
InChIKeyYLLVPHVZPCGVQN-UHFFFAOYSA-N
XLogP0.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.16
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-(propylamino)ethanol?
The IUPAC name of 1-(propylamino)ethanol (CID 19885411) is 1-(propylamino)ethanol.
What is the SMILES notation for 1-(propylamino)ethanol?
The canonical SMILES for 1-(propylamino)ethanol is CCCNC(C)O.
What is the InChIKey of 1-(propylamino)ethanol?
The InChIKey is YLLVPHVZPCGVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO/c1-3-4-6-5(2)7/h5-7H,3-4H2,1-2H3.
What are the key properties of 1-(propylamino)ethanol?
1-(propylamino)ethanol has a molecular weight of 103.16 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propylamino)ethanol is sourced from PubChem (CID 19885411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).