2-ethyl-2-(4-methylpentan-2-ylamino)propane-1,3-diol

C11H25NO2 — CID 115927596

IUPAC2-ethyl-2-(4-methylpentan-2-ylamino)propane-1,3-diol
SMILESCCC(CO)(CO)NC(C)CC(C)C
InChIInChI=1S/C11H25NO2/c1-5-11(7-13,8-14)12-10(4)6-9(2)3/h9-10,12-14H,5-8H2,1-4H3
InChIKeyCOTDRKFZPMGGEO-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.14
Rot. Bonds7

About 2-ethyl-2-(4-methylpentan-2-ylamino)propane-1,3-diol

2-ethyl-2-(4-methylpentan-2-ylamino)propane-1,3-diol (PubChem CID 115927596) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 2-ethyl-2-(4-methylpentan-2-ylamino)propane-1,3-diol.

Molecular Properties

Compound Name2-ethyl-2-(4-methylpentan-2-ylamino)propane-1,3-diol
PubChem CID115927596
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name2-ethyl-2-(4-methylpentan-2-ylamino)propane-1,3-diol
SMILESCCC(CO)(CO)NC(C)CC(C)C
InChIInChI=1S/C11H25NO2/c1-5-11(7-13,8-14)12-10(4)6-9(2)3/h9-10,12-14H,5-8H2,1-4H3
InChIKeyCOTDRKFZPMGGEO-UHFFFAOYSA-N
XLogP1.14
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-(1-methoxypropan-2-ylamino)propane-1,3-diol
CID 103935629
2-ethyl-2-(1-methylsulfonylpropan-2-ylamino)propane-1,3-diol
CID 103935626
methyl 3-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]butanoate
CID 103952300
3-[3-(hydroxymethyl)pentan-3-ylamino]butanoic acid
CID 62517979
3-[3-(hydroxymethyl)pentan-3-ylamino]-N-methylbutanamide
CID 115920289
3-[(4-methylpentan-2-ylamino)methyl]pentan-3-ol
CID 65107716
2-[1-(azepan-2-yl)propan-2-ylamino]-2-ethylpropane-1,3-diol
CID 107865089
N,N-diethyl-2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]propanamide
CID 114010536
2-(aminomethyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-methylpentanamide
CID 114010603
tert-butyl 2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]propanoate
CID 107865292
2-ethyl-2-[1-(4-fluorophenyl)ethylamino]propane-1,3-diol
CID 103935636
2-[1-(4-bromophenyl)ethylamino]-2-ethylpropane-1,3-diol
CID 113354722

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(4-methylpentan-2-ylamino)propane-1,3-diol?
The IUPAC name of 2-ethyl-2-(4-methylpentan-2-ylamino)propane-1,3-diol (CID 115927596) is 2-ethyl-2-(4-methylpentan-2-ylamino)propane-1,3-diol.
What is the SMILES notation for 2-ethyl-2-(4-methylpentan-2-ylamino)propane-1,3-diol?
The canonical SMILES for 2-ethyl-2-(4-methylpentan-2-ylamino)propane-1,3-diol is CCC(CO)(CO)NC(C)CC(C)C.
What is the InChIKey of 2-ethyl-2-(4-methylpentan-2-ylamino)propane-1,3-diol?
The InChIKey is COTDRKFZPMGGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-5-11(7-13,8-14)12-10(4)6-9(2)3/h9-10,12-14H,5-8H2,1-4H3.
What are the key properties of 2-ethyl-2-(4-methylpentan-2-ylamino)propane-1,3-diol?
2-ethyl-2-(4-methylpentan-2-ylamino)propane-1,3-diol has a molecular weight of 203.33 g/mol, XLogP of 1.14, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(4-methylpentan-2-ylamino)propane-1,3-diol is sourced from PubChem (CID 115927596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).