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

C11H23NO2 — CID 82851087

IUPAC3-[cyclohexylmethyl(methyl)amino]propane-1,2-diol
SMILESCN(CC(O)CO)CC1CCCCC1
InChIInChI=1S/C11H23NO2/c1-12(8-11(14)9-13)7-10-5-3-2-4-6-10/h10-11,13-14H,2-9H2,1H3
InChIKeyYTXQJMPEWCXEOS-UHFFFAOYSA-N
MW201.31 g/mol
LogP0.85
Rot. Bonds5

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

3-[cyclohexylmethyl(methyl)amino]propane-1,2-diol (PubChem CID 82851087) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-[cyclohexylmethyl(methyl)amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[cyclohexylmethyl(methyl)amino]propane-1,2-diol
PubChem CID82851087
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name3-[cyclohexylmethyl(methyl)amino]propane-1,2-diol
SMILESCN(CC(O)CO)CC1CCCCC1
InChIInChI=1S/C11H23NO2/c1-12(8-11(14)9-13)7-10-5-3-2-4-6-10/h10-11,13-14H,2-9H2,1H3
InChIKeyYTXQJMPEWCXEOS-UHFFFAOYSA-N
XLogP0.85
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[cyclohexylmethyl(methyl)amino]butan-2-ol
CID 61446730
1-chloro-3-[cyclohexylmethyl(methyl)amino]propan-2-ol
CID 112561400
1-[cyclopentylmethyl(methyl)amino]butan-2-ol
CID 63631897
3-[2-cyclohexylethyl(methyl)amino]propane-1,2-diol
CID 115122463
2-[cyclohexylmethyl(methyl)amino]-1-cyclopropylethanol
CID 63906781
1-[cyclobutylmethyl(methyl)amino]-3-(methylamino)propan-2-ol
CID 62860043
3-[cyclohexylmethyl(methyl)amino]-2-(cyclopropylamino)propan-1-ol
CID 64827404
2-amino-3-[cyclobutylmethyl(methyl)amino]propan-1-ol
CID 64787802
1-cyclohexyl-N'-(cyclohexylmethyl)-N,N'-dimethylethane-1,2-diamine
CID 104745310
N'-(cyclohexylmethyl)-1-cyclopentyl-N,N'-dimethylethane-1,2-diamine
CID 113448127
3-[cyclobutylmethyl(ethyl)amino]propane-1,2-diol
CID 107400463
3-amino-4-[cyclopentylmethyl(methyl)amino]butan-1-ol
CID 64897715

Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexylmethyl(methyl)amino]propane-1,2-diol?
The IUPAC name of 3-[cyclohexylmethyl(methyl)amino]propane-1,2-diol (CID 82851087) is 3-[cyclohexylmethyl(methyl)amino]propane-1,2-diol.
What is the SMILES notation for 3-[cyclohexylmethyl(methyl)amino]propane-1,2-diol?
The canonical SMILES for 3-[cyclohexylmethyl(methyl)amino]propane-1,2-diol is CN(CC(O)CO)CC1CCCCC1.
What is the InChIKey of 3-[cyclohexylmethyl(methyl)amino]propane-1,2-diol?
The InChIKey is YTXQJMPEWCXEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-12(8-11(14)9-13)7-10-5-3-2-4-6-10/h10-11,13-14H,2-9H2,1H3.
What are the key properties of 3-[cyclohexylmethyl(methyl)amino]propane-1,2-diol?
3-[cyclohexylmethyl(methyl)amino]propane-1,2-diol has a molecular weight of 201.31 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexylmethyl(methyl)amino]propane-1,2-diol is sourced from PubChem (CID 82851087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).