2-[[cyclohexyl(methyl)amino]methyl]-2-methylpropane-1,3-diol

C12H25NO2 — CID 114287449

IUPAC2-[[cyclohexyl(methyl)amino]methyl]-2-methylpropane-1,3-diol
SMILESCN(CC(C)(CO)CO)C1CCCCC1
InChIInChI=1S/C12H25NO2/c1-12(9-14,10-15)8-13(2)11-6-4-3-5-7-11/h11,14-15H,3-10H2,1-2H3
InChIKeyRDZZHADTDHYKIA-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.24
Rot. Bonds5

About 2-[[cyclohexyl(methyl)amino]methyl]-2-methylpropane-1,3-diol

2-[[cyclohexyl(methyl)amino]methyl]-2-methylpropane-1,3-diol (PubChem CID 114287449) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-[[cyclohexyl(methyl)amino]methyl]-2-methylpropane-1,3-diol.

Molecular Properties

Compound Name2-[[cyclohexyl(methyl)amino]methyl]-2-methylpropane-1,3-diol
PubChem CID114287449
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-[[cyclohexyl(methyl)amino]methyl]-2-methylpropane-1,3-diol
SMILESCN(CC(C)(CO)CO)C1CCCCC1
InChIInChI=1S/C12H25NO2/c1-12(9-14,10-15)8-13(2)11-6-4-3-5-7-11/h11,14-15H,3-10H2,1-2H3
InChIKeyRDZZHADTDHYKIA-UHFFFAOYSA-N
XLogP1.24
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

2-amino-3-[cyclohexyl(methyl)amino]-2-cyclopropylpropan-1-ol
CID 64796314
3-[cyclohexyl(methyl)amino]-2,2-dimethylpropanamide
CID 82040711
3-[cycloheptyl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol
CID 64798775
1-N-cyclopentyl-1-N,2,2,3-tetramethylbutane-1,3-diamine
CID 65266771
2-[cyclohexyl(methyl)amino]ethanol;hydrochloride
CID 69010720
1-[cyclobutyl(methyl)amino]-2,3-dimethylbutan-2-ol
CID 114495819
2-[cyclobutyl(methyl)amino]-2-methylpropan-1-ol
CID 115133352
N-cyclohexyl-N'-cyclopropyl-N,2,2-trimethylpropane-1,3-diamine
CID 62262681
2-[[cycloheptyl(methyl)amino]methyl]-2-ethylbutanoic acid
CID 55056559
2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-2-methylpentan-1-ol
CID 62265116
N-methyl-N-(2-methyl-2-piperazin-1-ylpropyl)cycloheptanamine
CID 80551419
N-cyclohexyl-N-methylcyclohexanamine;2-methylbutane-1,2-diol
CID 19890011

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclohexyl(methyl)amino]methyl]-2-methylpropane-1,3-diol?
The IUPAC name of 2-[[cyclohexyl(methyl)amino]methyl]-2-methylpropane-1,3-diol (CID 114287449) is 2-[[cyclohexyl(methyl)amino]methyl]-2-methylpropane-1,3-diol.
What is the SMILES notation for 2-[[cyclohexyl(methyl)amino]methyl]-2-methylpropane-1,3-diol?
The canonical SMILES for 2-[[cyclohexyl(methyl)amino]methyl]-2-methylpropane-1,3-diol is CN(CC(C)(CO)CO)C1CCCCC1.
What is the InChIKey of 2-[[cyclohexyl(methyl)amino]methyl]-2-methylpropane-1,3-diol?
The InChIKey is RDZZHADTDHYKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-12(9-14,10-15)8-13(2)11-6-4-3-5-7-11/h11,14-15H,3-10H2,1-2H3.
What are the key properties of 2-[[cyclohexyl(methyl)amino]methyl]-2-methylpropane-1,3-diol?
2-[[cyclohexyl(methyl)amino]methyl]-2-methylpropane-1,3-diol has a molecular weight of 215.34 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclohexyl(methyl)amino]methyl]-2-methylpropane-1,3-diol is sourced from PubChem (CID 114287449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).