2-[3-aminopropyl(ethyl)amino]ethanol

C7H18N2O — CID 43137267

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

About 2-[3-aminopropyl(ethyl)amino]ethanol

2-[3-aminopropyl(ethyl)amino]ethanol (PubChem CID 43137267) has the molecular formula C7H18N2O and a molecular weight of 146.23 g/mol. Its IUPAC name is 2-[3-aminopropyl(ethyl)amino]ethanol.

Molecular Properties

Compound Name2-[3-aminopropyl(ethyl)amino]ethanol
PubChem CID43137267
Molecular FormulaC7H18N2O
Molecular Weight146.23 g/mol
Exact Mass146.14
IUPAC Name2-[3-aminopropyl(ethyl)amino]ethanol
SMILESCCN(CCO)CCCN
InChIInChI=1S/C7H18N2O/c1-2-9(6-7-10)5-3-4-8/h10H,2-8H2,1H3
InChIKeyANGNBVSSNFUJFS-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-[3-aminopropyl(ethyl)amino]ethanol?
The IUPAC name of 2-[3-aminopropyl(ethyl)amino]ethanol (CID 43137267) is 2-[3-aminopropyl(ethyl)amino]ethanol.
What is the SMILES notation for 2-[3-aminopropyl(ethyl)amino]ethanol?
The canonical SMILES for 2-[3-aminopropyl(ethyl)amino]ethanol is CCN(CCO)CCCN.
What is the InChIKey of 2-[3-aminopropyl(ethyl)amino]ethanol?
The InChIKey is ANGNBVSSNFUJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O/c1-2-9(6-7-10)5-3-4-8/h10H,2-8H2,1H3.
What are the key properties of 2-[3-aminopropyl(ethyl)amino]ethanol?
2-[3-aminopropyl(ethyl)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-[3-aminopropyl(ethyl)amino]ethanol is sourced from PubChem (CID 43137267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).