2-[butyl(2-hydroxyethyl)amino]-2-(hydroxymethyl)propane-1,3-diol

C10H23NO4 — CID 156729767

IUPAC2-[butyl(2-hydroxyethyl)amino]-2-(hydroxymethyl)propane-1,3-diol
SMILESCCCCN(CCO)C(CO)(CO)CO
InChIInChI=1S/C10H23NO4/c1-2-3-4-11(5-6-12)10(7-13,8-14)9-15/h12-15H,2-9H2,1H3
InChIKeyOYYUAPFAFGFTTB-UHFFFAOYSA-N
MW221.30 g/mol
LogP-1.20
Rot. Bonds9

About 2-[butyl(2-hydroxyethyl)amino]-2-(hydroxymethyl)propane-1,3-diol

2-[butyl(2-hydroxyethyl)amino]-2-(hydroxymethyl)propane-1,3-diol (PubChem CID 156729767) has the molecular formula C10H23NO4 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[butyl(2-hydroxyethyl)amino]-2-(hydroxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-[butyl(2-hydroxyethyl)amino]-2-(hydroxymethyl)propane-1,3-diol
PubChem CID156729767
Molecular FormulaC10H23NO4
Molecular Weight221.30 g/mol
Exact Mass221.16
IUPAC Name2-[butyl(2-hydroxyethyl)amino]-2-(hydroxymethyl)propane-1,3-diol
SMILESCCCCN(CCO)C(CO)(CO)CO
InChIInChI=1S/C10H23NO4/c1-2-3-4-11(5-6-12)10(7-13,8-14)9-15/h12-15H,2-9H2,1H3
InChIKeyOYYUAPFAFGFTTB-UHFFFAOYSA-N
XLogP-1.20
TPSA84.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 5-1.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[bis(2-hydroxyethyl)amino]ethanol;2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl(propyl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 158594075
N,N,5-tributylnonan-5-amine
CID 175088572
2-[2-[bis[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-(2-hydroxyethyl)amino]ethoxy]-propylsilyl]oxyethyl-(2-hydroxyethyl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 156729819
2-[19-(2-aminoethyl)heptatriacontan-19-yl-(2-hydroxyethyl)amino]ethanol
CID 87653740
2-[butyl(2-hydroxyethyl)amino]ethanol
CID 23103220
N,N-dibutyl-5-propylnonan-5-amine
CID 141372550
2-(hydroxymethyl)-2-[2,2,2-tris(dibutylamino)ethyl]propane-1,3-diol
CID 175722962
2-[butyl(2-hydroxyethyl)amino]ethanol;titanium
CID 174575595
3-[3-(aminomethyl)pentan-3-yl-propylamino]propan-1-ol
CID 62008603
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-propylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 126494722
2-[butyl(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl(octadecyl)amino]ethanol
CID 161305073
2-N,2-N-dibutyl-2-ethylpentane-1,2-diamine
CID 114079873

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(2-hydroxyethyl)amino]-2-(hydroxymethyl)propane-1,3-diol?
The IUPAC name of 2-[butyl(2-hydroxyethyl)amino]-2-(hydroxymethyl)propane-1,3-diol (CID 156729767) is 2-[butyl(2-hydroxyethyl)amino]-2-(hydroxymethyl)propane-1,3-diol.
What is the SMILES notation for 2-[butyl(2-hydroxyethyl)amino]-2-(hydroxymethyl)propane-1,3-diol?
The canonical SMILES for 2-[butyl(2-hydroxyethyl)amino]-2-(hydroxymethyl)propane-1,3-diol is CCCCN(CCO)C(CO)(CO)CO.
What is the InChIKey of 2-[butyl(2-hydroxyethyl)amino]-2-(hydroxymethyl)propane-1,3-diol?
The InChIKey is OYYUAPFAFGFTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO4/c1-2-3-4-11(5-6-12)10(7-13,8-14)9-15/h12-15H,2-9H2,1H3.
What are the key properties of 2-[butyl(2-hydroxyethyl)amino]-2-(hydroxymethyl)propane-1,3-diol?
2-[butyl(2-hydroxyethyl)amino]-2-(hydroxymethyl)propane-1,3-diol has a molecular weight of 221.30 g/mol, XLogP of -1.20, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(2-hydroxyethyl)amino]-2-(hydroxymethyl)propane-1,3-diol is sourced from PubChem (CID 156729767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).