3-[2-cyclohexylethyl(methyl)amino]propane-1,2-diol

C12H25NO2 — CID 115122463

IUPAC3-[2-cyclohexylethyl(methyl)amino]propane-1,2-diol
SMILESCN(CCC1CCCCC1)CC(O)CO
InChIInChI=1S/C12H25NO2/c1-13(9-12(15)10-14)8-7-11-5-3-2-4-6-11/h11-12,14-15H,2-10H2,1H3
InChIKeyXASSVWKCINZJHN-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.24
Rot. Bonds6

About 3-[2-cyclohexylethyl(methyl)amino]propane-1,2-diol

3-[2-cyclohexylethyl(methyl)amino]propane-1,2-diol (PubChem CID 115122463) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-[2-cyclohexylethyl(methyl)amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[2-cyclohexylethyl(methyl)amino]propane-1,2-diol
PubChem CID115122463
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name3-[2-cyclohexylethyl(methyl)amino]propane-1,2-diol
SMILESCN(CCC1CCCCC1)CC(O)CO
InChIInChI=1S/C12H25NO2/c1-13(9-12(15)10-14)8-7-11-5-3-2-4-6-11/h11-12,14-15H,2-10H2,1H3
InChIKeyXASSVWKCINZJHN-UHFFFAOYSA-N
XLogP1.24
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclohexylmethyl(methyl)amino]propane-1,2-diol
CID 82851087
4-[2-cyclopentylethyl(methyl)amino]-3-hydroxybutanoic acid
CID 115123154
3-[bis(3-cyclohexylpropyl)amino]propane-1,2-diol
CID 154325149
1-cyclopentyl-3-[2-hydroxyethyl(methyl)amino]propan-2-ol
CID 103159770
(2S)-4-cyclohexylbutane-1,2-diol
CID 11171243
2-amino-3-[2-cyclopentylethyl(methyl)amino]propanoic acid
CID 115240935
2-[[2-cyclohexylethyl(methyl)amino]methyl]-3-methylbutanenitrile
CID 115254710
1-[2-cyclohexylethyl(methyl)amino]-2-methylpropan-2-ol
CID 111113332
1-[cyclohexylmethyl(methyl)amino]butan-2-ol
CID 61446730
2-[[2-cyclobutylethyl(methyl)amino]methyl]-3-methylbutanoic acid
CID 115250462
1-cyclopentyl-3-[2-methoxyethyl(methyl)amino]propan-2-ol
CID 103159826
3-[2-cyclohexylethyl(methyl)amino]-3-methylbutan-1-ol
CID 115134352

Frequently Asked Questions

What is the IUPAC name of 3-[2-cyclohexylethyl(methyl)amino]propane-1,2-diol?
The IUPAC name of 3-[2-cyclohexylethyl(methyl)amino]propane-1,2-diol (CID 115122463) is 3-[2-cyclohexylethyl(methyl)amino]propane-1,2-diol.
What is the SMILES notation for 3-[2-cyclohexylethyl(methyl)amino]propane-1,2-diol?
The canonical SMILES for 3-[2-cyclohexylethyl(methyl)amino]propane-1,2-diol is CN(CCC1CCCCC1)CC(O)CO.
What is the InChIKey of 3-[2-cyclohexylethyl(methyl)amino]propane-1,2-diol?
The InChIKey is XASSVWKCINZJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-13(9-12(15)10-14)8-7-11-5-3-2-4-6-11/h11-12,14-15H,2-10H2,1H3.
What are the key properties of 3-[2-cyclohexylethyl(methyl)amino]propane-1,2-diol?
3-[2-cyclohexylethyl(methyl)amino]propane-1,2-diol has a molecular weight of 215.34 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-cyclohexylethyl(methyl)amino]propane-1,2-diol is sourced from PubChem (CID 115122463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).