2-[3-(ethylamino)propylamino]ethanol

C7H18N2O — CID 88586065

IUPAC2-[3-(ethylamino)propylamino]ethanol
SMILESCCNCCCNCCO
InChIInChI=1S/C7H18N2O/c1-2-8-4-3-5-9-6-7-10/h8-10H,2-7H2,1H3
InChIKeyQMCJCBVBAAXLRJ-UHFFFAOYSA-N
MW146.23 g/mol
LogP-0.43
Rot. Bonds7

About 2-[3-(ethylamino)propylamino]ethanol

2-[3-(ethylamino)propylamino]ethanol (PubChem CID 88586065) has the molecular formula C7H18N2O and a molecular weight of 146.23 g/mol. Its IUPAC name is 2-[3-(ethylamino)propylamino]ethanol.

Molecular Properties

Compound Name2-[3-(ethylamino)propylamino]ethanol
PubChem CID88586065
Molecular FormulaC7H18N2O
Molecular Weight146.23 g/mol
Exact Mass146.14
IUPAC Name2-[3-(ethylamino)propylamino]ethanol
SMILESCCNCCCNCCO
InChIInChI=1S/C7H18N2O/c1-2-8-4-3-5-9-6-7-10/h8-10H,2-7H2,1H3
InChIKeyQMCJCBVBAAXLRJ-UHFFFAOYSA-N
XLogP-0.43
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(ethylamino)propylamino]ethanol?
The IUPAC name of 2-[3-(ethylamino)propylamino]ethanol (CID 88586065) is 2-[3-(ethylamino)propylamino]ethanol.
What is the SMILES notation for 2-[3-(ethylamino)propylamino]ethanol?
The canonical SMILES for 2-[3-(ethylamino)propylamino]ethanol is CCNCCCNCCO.
What is the InChIKey of 2-[3-(ethylamino)propylamino]ethanol?
The InChIKey is QMCJCBVBAAXLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O/c1-2-8-4-3-5-9-6-7-10/h8-10H,2-7H2,1H3.
What are the key properties of 2-[3-(ethylamino)propylamino]ethanol?
2-[3-(ethylamino)propylamino]ethanol has a molecular weight of 146.23 g/mol, XLogP of -0.43, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(ethylamino)propylamino]ethanol is sourced from PubChem (CID 88586065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).