2-[2-aminoethyl(propyl)amino]ethanol

C7H18N2O — CID 22082597

IUPAC2-[2-aminoethyl(propyl)amino]ethanol
SMILESCCCN(CCN)CCO
InChIInChI=1S/C7H18N2O/c1-2-4-9(5-3-8)6-7-10/h10H,2-8H2,1H3
InChIKeyYMBZTLNBWIBYHR-UHFFFAOYSA-N
MW146.23 g/mol
LogP-0.35
Rot. Bonds6

About 2-[2-aminoethyl(propyl)amino]ethanol

2-[2-aminoethyl(propyl)amino]ethanol (PubChem CID 22082597) has the molecular formula C7H18N2O and a molecular weight of 146.23 g/mol. Its IUPAC name is 2-[2-aminoethyl(propyl)amino]ethanol.

Molecular Properties

Compound Name2-[2-aminoethyl(propyl)amino]ethanol
PubChem CID22082597
Molecular FormulaC7H18N2O
Molecular Weight146.23 g/mol
Exact Mass146.14
IUPAC Name2-[2-aminoethyl(propyl)amino]ethanol
SMILESCCCN(CCN)CCO
InChIInChI=1S/C7H18N2O/c1-2-4-9(5-3-8)6-7-10/h10H,2-8H2,1H3
InChIKeyYMBZTLNBWIBYHR-UHFFFAOYSA-N
XLogP-0.35
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(propyl)amino]ethanol?
The IUPAC name of 2-[2-aminoethyl(propyl)amino]ethanol (CID 22082597) is 2-[2-aminoethyl(propyl)amino]ethanol.
What is the SMILES notation for 2-[2-aminoethyl(propyl)amino]ethanol?
The canonical SMILES for 2-[2-aminoethyl(propyl)amino]ethanol is CCCN(CCN)CCO.
What is the InChIKey of 2-[2-aminoethyl(propyl)amino]ethanol?
The InChIKey is YMBZTLNBWIBYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O/c1-2-4-9(5-3-8)6-7-10/h10H,2-8H2,1H3.
What are the key properties of 2-[2-aminoethyl(propyl)amino]ethanol?
2-[2-aminoethyl(propyl)amino]ethanol has a molecular weight of 146.23 g/mol, XLogP of -0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(propyl)amino]ethanol is sourced from PubChem (CID 22082597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).