1-(diethylamino)propan-1-ol

C7H17NO — CID 5256659

IUPAC1-(diethylamino)propan-1-ol
SMILESCCC(O)N(CC)CC
InChIInChI=1S/C7H17NO/c1-4-7(9)8(5-2)6-3/h7,9H,4-6H2,1-3H3
InChIKeyVKKTUDKKYOOLGG-UHFFFAOYSA-N
MW131.22 g/mol
LogP1.06
Rot. Bonds4

About 1-(diethylamino)propan-1-ol

1-(diethylamino)propan-1-ol (PubChem CID 5256659) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is 1-(diethylamino)propan-1-ol.

Molecular Properties

Compound Name1-(diethylamino)propan-1-ol
PubChem CID5256659
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name1-(diethylamino)propan-1-ol
SMILESCCC(O)N(CC)CC
InChIInChI=1S/C7H17NO/c1-4-7(9)8(5-2)6-3/h7,9H,4-6H2,1-3H3
InChIKeyVKKTUDKKYOOLGG-UHFFFAOYSA-N
XLogP1.06
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(diethylamino)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)propan-1-ol?
The IUPAC name of 1-(diethylamino)propan-1-ol (CID 5256659) is 1-(diethylamino)propan-1-ol.
What is the SMILES notation for 1-(diethylamino)propan-1-ol?
The canonical SMILES for 1-(diethylamino)propan-1-ol is CCC(O)N(CC)CC.
What is the InChIKey of 1-(diethylamino)propan-1-ol?
The InChIKey is VKKTUDKKYOOLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO/c1-4-7(9)8(5-2)6-3/h7,9H,4-6H2,1-3H3.
What are the key properties of 1-(diethylamino)propan-1-ol?
1-(diethylamino)propan-1-ol has a molecular weight of 131.22 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)propan-1-ol is sourced from PubChem (CID 5256659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).