3-[ethyl(2-hydroxyethyl)amino]propylazanium

C7H19N2O+ — CID 171073927

IUPAC3-[ethyl(2-hydroxyethyl)amino]propylazanium
SMILESCCN(CCO)CCC[NH3+]
InChIInChI=1S/C7H18N2O/c1-2-9(6-7-10)5-3-4-8/h10H,2-8H2,1H3/p+1
InChIKeyANGNBVSSNFUJFS-UHFFFAOYSA-O
MW147.24 g/mol
LogP-1.07
Rot. Bonds6

About 3-[ethyl(2-hydroxyethyl)amino]propylazanium

3-[ethyl(2-hydroxyethyl)amino]propylazanium (PubChem CID 171073927) has the molecular formula C7H19N2O+ and a molecular weight of 147.24 g/mol. Its IUPAC name is 3-[ethyl(2-hydroxyethyl)amino]propylazanium.

Molecular Properties

Compound Name3-[ethyl(2-hydroxyethyl)amino]propylazanium
PubChem CID171073927
Molecular FormulaC7H19N2O+
Molecular Weight147.24 g/mol
Exact Mass147.15
IUPAC Name3-[ethyl(2-hydroxyethyl)amino]propylazanium
SMILESCCN(CCO)CCC[NH3+]
InChIInChI=1S/C7H18N2O/c1-2-9(6-7-10)5-3-4-8/h10H,2-8H2,1H3/p+1
InChIKeyANGNBVSSNFUJFS-UHFFFAOYSA-O
XLogP-1.07
TPSA51.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2-hydroxyethyl)amino]propylazanium?
The IUPAC name of 3-[ethyl(2-hydroxyethyl)amino]propylazanium (CID 171073927) is 3-[ethyl(2-hydroxyethyl)amino]propylazanium.
What is the SMILES notation for 3-[ethyl(2-hydroxyethyl)amino]propylazanium?
The canonical SMILES for 3-[ethyl(2-hydroxyethyl)amino]propylazanium is CCN(CCO)CCC[NH3+].
What is the InChIKey of 3-[ethyl(2-hydroxyethyl)amino]propylazanium?
The InChIKey is ANGNBVSSNFUJFS-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H18N2O/c1-2-9(6-7-10)5-3-4-8/h10H,2-8H2,1H3/p+1.
What are the key properties of 3-[ethyl(2-hydroxyethyl)amino]propylazanium?
3-[ethyl(2-hydroxyethyl)amino]propylazanium has a molecular weight of 147.24 g/mol, XLogP of -1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2-hydroxyethyl)amino]propylazanium is sourced from PubChem (CID 171073927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).