2-ethyl-2-(1-methoxypropan-2-ylamino)propane-1,3-diol

C9H21NO3 — CID 103935629

IUPAC2-ethyl-2-(1-methoxypropan-2-ylamino)propane-1,3-diol
SMILESCCC(CO)(CO)NC(C)COC
InChIInChI=1S/C9H21NO3/c1-4-9(6-11,7-12)10-8(2)5-13-3/h8,10-12H,4-7H2,1-3H3
InChIKeyHHCGLLIJSXVRAE-UHFFFAOYSA-N
MW191.27 g/mol
LogP-0.26
Rot. Bonds7

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

2-ethyl-2-(1-methoxypropan-2-ylamino)propane-1,3-diol (PubChem CID 103935629) has the molecular formula C9H21NO3 and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-ethyl-2-(1-methoxypropan-2-ylamino)propane-1,3-diol.

Molecular Properties

Compound Name2-ethyl-2-(1-methoxypropan-2-ylamino)propane-1,3-diol
PubChem CID103935629
Molecular FormulaC9H21NO3
Molecular Weight191.27 g/mol
Exact Mass191.15
IUPAC Name2-ethyl-2-(1-methoxypropan-2-ylamino)propane-1,3-diol
SMILESCCC(CO)(CO)NC(C)COC
InChIInChI=1S/C9H21NO3/c1-4-9(6-11,7-12)10-8(2)5-13-3/h8,10-12H,4-7H2,1-3H3
InChIKeyHHCGLLIJSXVRAE-UHFFFAOYSA-N
XLogP-0.26
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]butanoate
CID 103952300
2-ethyl-2-(4-methylpentan-2-ylamino)propane-1,3-diol
CID 115927596
2-(hydroxymethyl)-2-(4-methoxybutan-2-ylamino)propane-1,3-diol
CID 107850471
2-[(5-amino-1-methoxypentan-2-yl)amino]-2-ethylpropane-1,3-diol
CID 107864954
2-ethyl-2-(1-methoxyhexan-2-ylamino)butan-1-ol
CID 115920298
2-ethyl-2-(1-methylsulfonylpropan-2-ylamino)propane-1,3-diol
CID 103935626
3-[3-(hydroxymethyl)pentan-3-ylamino]butanoic acid
CID 62517979
2-ethyl-2-(ethylamino)-5-(1-methoxypropan-2-yloxy)pentan-1-ol
CID 106810166
3-[3-(hydroxymethyl)pentan-3-ylamino]-N-methylbutanamide
CID 115920289
2-ethyl-5-[2-methoxyethyl(methyl)amino]-2-(propan-2-ylamino)pentan-1-ol
CID 106809549
tert-butyl 2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]propanoate
CID 107865292
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methoxypropanamide
CID 103891013

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(1-methoxypropan-2-ylamino)propane-1,3-diol?
The IUPAC name of 2-ethyl-2-(1-methoxypropan-2-ylamino)propane-1,3-diol (CID 103935629) is 2-ethyl-2-(1-methoxypropan-2-ylamino)propane-1,3-diol.
What is the SMILES notation for 2-ethyl-2-(1-methoxypropan-2-ylamino)propane-1,3-diol?
The canonical SMILES for 2-ethyl-2-(1-methoxypropan-2-ylamino)propane-1,3-diol is CCC(CO)(CO)NC(C)COC.
What is the InChIKey of 2-ethyl-2-(1-methoxypropan-2-ylamino)propane-1,3-diol?
The InChIKey is HHCGLLIJSXVRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3/c1-4-9(6-11,7-12)10-8(2)5-13-3/h8,10-12H,4-7H2,1-3H3.
What are the key properties of 2-ethyl-2-(1-methoxypropan-2-ylamino)propane-1,3-diol?
2-ethyl-2-(1-methoxypropan-2-ylamino)propane-1,3-diol has a molecular weight of 191.27 g/mol, XLogP of -0.26, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(1-methoxypropan-2-ylamino)propane-1,3-diol is sourced from PubChem (CID 103935629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).