2-ethyl-2-(2-methylbutylamino)propane-1,3-diol

C10H23NO2 — CID 103897103

IUPAC2-ethyl-2-(2-methylbutylamino)propane-1,3-diol
SMILESCCC(C)CNC(CC)(CO)CO
InChIInChI=1S/C10H23NO2/c1-4-9(3)6-11-10(5-2,7-12)8-13/h9,11-13H,4-8H2,1-3H3
InChIKeyBJOKCRZCMKTFJX-UHFFFAOYSA-N
MW189.30 g/mol
LogP0.76
Rot. Bonds7

About 2-ethyl-2-(2-methylbutylamino)propane-1,3-diol

2-ethyl-2-(2-methylbutylamino)propane-1,3-diol (PubChem CID 103897103) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 2-ethyl-2-(2-methylbutylamino)propane-1,3-diol.

Molecular Properties

Compound Name2-ethyl-2-(2-methylbutylamino)propane-1,3-diol
PubChem CID103897103
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name2-ethyl-2-(2-methylbutylamino)propane-1,3-diol
SMILESCCC(C)CNC(CC)(CO)CO
InChIInChI=1S/C10H23NO2/c1-4-9(3)6-11-10(5-2,7-12)8-13/h9,11-13H,4-8H2,1-3H3
InChIKeyBJOKCRZCMKTFJX-UHFFFAOYSA-N
XLogP0.76
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(hydroxymethyl)-2-(2-methylbutylamino)propane-1,3-diol
CID 107850968
2-ethyl-2-(2-ethylbutylamino)butan-1-ol
CID 62517481
2-methyl-2-(2-methylbutylamino)propan-1-ol
CID 43207248
2-methyl-2-(2-methylbutylamino)propane-1,3-diol
CID 75525332
2-(2,2-difluoroethylamino)-2-ethylbutan-1-ol
CID 62518519
2-amino-3-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]propanoic acid
CID 107866370
2-(hydroxymethyl)-2-[[(2R)-2-hydroxypropyl]amino]propane-1,3-diol
CID 107852675
2-[2-(diethylamino)ethylamino]-2-ethyl-4-methylhexan-1-ol
CID 61048423
ethyl 3-[3-(hydroxymethyl)pentan-3-ylamino]-2-methylpropanoate
CID 62517964
methyl 2-bromo-3-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]propanoate
CID 107866398
N-(3-ethylpentan-3-yl)-2-methylbutane-1,4-diamine
CID 80544089
3-ethyl-N-(3-methoxy-2-methylpropyl)pentan-3-amine
CID 116501336

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(2-methylbutylamino)propane-1,3-diol?
The IUPAC name of 2-ethyl-2-(2-methylbutylamino)propane-1,3-diol (CID 103897103) is 2-ethyl-2-(2-methylbutylamino)propane-1,3-diol.
What is the SMILES notation for 2-ethyl-2-(2-methylbutylamino)propane-1,3-diol?
The canonical SMILES for 2-ethyl-2-(2-methylbutylamino)propane-1,3-diol is CCC(C)CNC(CC)(CO)CO.
What is the InChIKey of 2-ethyl-2-(2-methylbutylamino)propane-1,3-diol?
The InChIKey is BJOKCRZCMKTFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2/c1-4-9(3)6-11-10(5-2,7-12)8-13/h9,11-13H,4-8H2,1-3H3.
What are the key properties of 2-ethyl-2-(2-methylbutylamino)propane-1,3-diol?
2-ethyl-2-(2-methylbutylamino)propane-1,3-diol has a molecular weight of 189.30 g/mol, XLogP of 0.76, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(2-methylbutylamino)propane-1,3-diol is sourced from PubChem (CID 103897103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).