2-[4-aminobutan-2-yl(propyl)amino]ethanol

C9H22N2O — CID 61424926

IUPAC2-[4-aminobutan-2-yl(propyl)amino]ethanol
SMILESCCCN(CCO)C(C)CCN
InChIInChI=1S/C9H22N2O/c1-3-6-11(7-8-12)9(2)4-5-10/h9,12H,3-8,10H2,1-2H3
InChIKeyVEFPYDRAVGMTAJ-UHFFFAOYSA-N
MW174.29 g/mol
LogP0.43
Rot. Bonds7

About 2-[4-aminobutan-2-yl(propyl)amino]ethanol

2-[4-aminobutan-2-yl(propyl)amino]ethanol (PubChem CID 61424926) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is 2-[4-aminobutan-2-yl(propyl)amino]ethanol.

Molecular Properties

Compound Name2-[4-aminobutan-2-yl(propyl)amino]ethanol
PubChem CID61424926
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC Name2-[4-aminobutan-2-yl(propyl)amino]ethanol
SMILESCCCN(CCO)C(C)CCN
InChIInChI=1S/C9H22N2O/c1-3-6-11(7-8-12)9(2)4-5-10/h9,12H,3-8,10H2,1-2H3
InChIKeyVEFPYDRAVGMTAJ-UHFFFAOYSA-N
XLogP0.43
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-aminobutan-2-yl(propyl)amino]ethanol?
The IUPAC name of 2-[4-aminobutan-2-yl(propyl)amino]ethanol (CID 61424926) is 2-[4-aminobutan-2-yl(propyl)amino]ethanol.
What is the SMILES notation for 2-[4-aminobutan-2-yl(propyl)amino]ethanol?
The canonical SMILES for 2-[4-aminobutan-2-yl(propyl)amino]ethanol is CCCN(CCO)C(C)CCN.
What is the InChIKey of 2-[4-aminobutan-2-yl(propyl)amino]ethanol?
The InChIKey is VEFPYDRAVGMTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O/c1-3-6-11(7-8-12)9(2)4-5-10/h9,12H,3-8,10H2,1-2H3.
What are the key properties of 2-[4-aminobutan-2-yl(propyl)amino]ethanol?
2-[4-aminobutan-2-yl(propyl)amino]ethanol has a molecular weight of 174.29 g/mol, XLogP of 0.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-aminobutan-2-yl(propyl)amino]ethanol is sourced from PubChem (CID 61424926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).