2-[1-aminopropyl(ethyl)amino]ethanol

C7H18N2O — CID 18000427

IUPAC2-[1-aminopropyl(ethyl)amino]ethanol
SMILESCCC(N)N(CC)CCO
InChIInChI=1S/C7H18N2O/c1-3-7(8)9(4-2)5-6-10/h7,10H,3-6,8H2,1-2H3
InChIKeyRGSAPMIJNODKHI-UHFFFAOYSA-N
MW146.23 g/mol
LogP-0.00
Rot. Bonds5

About 2-[1-aminopropyl(ethyl)amino]ethanol

2-[1-aminopropyl(ethyl)amino]ethanol (PubChem CID 18000427) has the molecular formula C7H18N2O and a molecular weight of 146.23 g/mol. Its IUPAC name is 2-[1-aminopropyl(ethyl)amino]ethanol.

Molecular Properties

Compound Name2-[1-aminopropyl(ethyl)amino]ethanol
PubChem CID18000427
Molecular FormulaC7H18N2O
Molecular Weight146.23 g/mol
Exact Mass146.14
IUPAC Name2-[1-aminopropyl(ethyl)amino]ethanol
SMILESCCC(N)N(CC)CCO
InChIInChI=1S/C7H18N2O/c1-3-7(8)9(4-2)5-6-10/h7,10H,3-6,8H2,1-2H3
InChIKeyRGSAPMIJNODKHI-UHFFFAOYSA-N
XLogP-0.00
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[1-aminopropyl(ethyl)amino]ethanol 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 2-[1-aminopropyl(ethyl)amino]ethanol?
The IUPAC name of 2-[1-aminopropyl(ethyl)amino]ethanol (CID 18000427) is 2-[1-aminopropyl(ethyl)amino]ethanol.
What is the SMILES notation for 2-[1-aminopropyl(ethyl)amino]ethanol?
The canonical SMILES for 2-[1-aminopropyl(ethyl)amino]ethanol is CCC(N)N(CC)CCO.
What is the InChIKey of 2-[1-aminopropyl(ethyl)amino]ethanol?
The InChIKey is RGSAPMIJNODKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O/c1-3-7(8)9(4-2)5-6-10/h7,10H,3-6,8H2,1-2H3.
What are the key properties of 2-[1-aminopropyl(ethyl)amino]ethanol?
2-[1-aminopropyl(ethyl)amino]ethanol has a molecular weight of 146.23 g/mol, XLogP of -0.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-aminopropyl(ethyl)amino]ethanol is sourced from PubChem (CID 18000427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).