2-[(2-ethyl-2-hydroxybutyl)amino]-2-methylpropane-1,3-diol

C10H23NO3 — CID 114493468

IUPAC2-[(2-ethyl-2-hydroxybutyl)amino]-2-methylpropane-1,3-diol
SMILESCCC(O)(CC)CNC(C)(CO)CO
InChIInChI=1S/C10H23NO3/c1-4-10(14,5-2)6-11-9(3,7-12)8-13/h11-14H,4-8H2,1-3H3
InChIKeyDYNTZUSEJPJRMH-UHFFFAOYSA-N
MW205.30 g/mol
LogP-0.13
Rot. Bonds7

About 2-[(2-ethyl-2-hydroxybutyl)amino]-2-methylpropane-1,3-diol

2-[(2-ethyl-2-hydroxybutyl)amino]-2-methylpropane-1,3-diol (PubChem CID 114493468) has the molecular formula C10H23NO3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-[(2-ethyl-2-hydroxybutyl)amino]-2-methylpropane-1,3-diol.

Molecular Properties

Compound Name2-[(2-ethyl-2-hydroxybutyl)amino]-2-methylpropane-1,3-diol
PubChem CID114493468
Molecular FormulaC10H23NO3
Molecular Weight205.30 g/mol
Exact Mass205.17
IUPAC Name2-[(2-ethyl-2-hydroxybutyl)amino]-2-methylpropane-1,3-diol
SMILESCCC(O)(CC)CNC(C)(CO)CO
InChIInChI=1S/C10H23NO3/c1-4-10(14,5-2)6-11-9(3,7-12)8-13/h11-14H,4-8H2,1-3H3
InChIKeyDYNTZUSEJPJRMH-UHFFFAOYSA-N
XLogP-0.13
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 5-0.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-2-hydroxybutyl)amino]-2-methylpropane-1,3-diol?
The IUPAC name of 2-[(2-ethyl-2-hydroxybutyl)amino]-2-methylpropane-1,3-diol (CID 114493468) is 2-[(2-ethyl-2-hydroxybutyl)amino]-2-methylpropane-1,3-diol.
What is the SMILES notation for 2-[(2-ethyl-2-hydroxybutyl)amino]-2-methylpropane-1,3-diol?
The canonical SMILES for 2-[(2-ethyl-2-hydroxybutyl)amino]-2-methylpropane-1,3-diol is CCC(O)(CC)CNC(C)(CO)CO.
What is the InChIKey of 2-[(2-ethyl-2-hydroxybutyl)amino]-2-methylpropane-1,3-diol?
The InChIKey is DYNTZUSEJPJRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3/c1-4-10(14,5-2)6-11-9(3,7-12)8-13/h11-14H,4-8H2,1-3H3.
What are the key properties of 2-[(2-ethyl-2-hydroxybutyl)amino]-2-methylpropane-1,3-diol?
2-[(2-ethyl-2-hydroxybutyl)amino]-2-methylpropane-1,3-diol has a molecular weight of 205.30 g/mol, XLogP of -0.13, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-2-hydroxybutyl)amino]-2-methylpropane-1,3-diol is sourced from PubChem (CID 114493468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).