3-[(2-methylcyclohexyl)methylamino]propane-1,2-diol

C11H23NO2 — CID 76912799

IUPAC3-[(2-methylcyclohexyl)methylamino]propane-1,2-diol
SMILESCC1CCCCC1CNCC(O)CO
InChIInChI=1S/C11H23NO2/c1-9-4-2-3-5-10(9)6-12-7-11(14)8-13/h9-14H,2-8H2,1H3
InChIKeyAZTCYSRQKOYYSL-UHFFFAOYSA-N
MW201.31 g/mol
LogP0.76
Rot. Bonds5

About 3-[(2-methylcyclohexyl)methylamino]propane-1,2-diol

3-[(2-methylcyclohexyl)methylamino]propane-1,2-diol (PubChem CID 76912799) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-[(2-methylcyclohexyl)methylamino]propane-1,2-diol.

Molecular Properties

Compound Name3-[(2-methylcyclohexyl)methylamino]propane-1,2-diol
PubChem CID76912799
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name3-[(2-methylcyclohexyl)methylamino]propane-1,2-diol
SMILESCC1CCCCC1CNCC(O)CO
InChIInChI=1S/C11H23NO2/c1-9-4-2-3-5-10(9)6-12-7-11(14)8-13/h9-14H,2-8H2,1H3
InChIKeyAZTCYSRQKOYYSL-UHFFFAOYSA-N
XLogP0.76
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-3-[(2-methylcyclopentyl)methylamino]propan-2-ol
CID 107418138
3-(cyclopentylmethylamino)propane-1,2-diol
CID 60900461
(3R)-3-methyl-4-[[(1S,2R)-2-methylcyclohexyl]methylamino]butan-1-ol
CID 124743507
3-(cycloheptylmethylamino)propane-1,2-diol
CID 66176972
1-(2-butoxyethoxy)-3-[(2-methylcyclopentyl)methylamino]propan-2-ol
CID 107417945
3-[(2-methylcycloheptyl)amino]propane-1,2-diol
CID 77073747
3-[(3-hydroxycyclohexyl)methylamino]propane-1,2-diol
CID 106132055
3-[(1-methylpiperidin-2-yl)methylamino]propane-1,2-diol
CID 66176775
3-[(5-methyloxolan-2-yl)methylamino]propane-1,2-diol
CID 82835676
N-[(2-methylcyclohexyl)methyl]-1-piperidin-4-ylmethanamine
CID 79708112
1-(2,4-dimethylphenoxy)-3-[(2-methylcyclopentyl)methylamino]propan-2-ol
CID 107417965
3-[(1-ethylpyrrolidin-2-yl)methylamino]propane-1,2-diol
CID 76891505

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylcyclohexyl)methylamino]propane-1,2-diol?
The IUPAC name of 3-[(2-methylcyclohexyl)methylamino]propane-1,2-diol (CID 76912799) is 3-[(2-methylcyclohexyl)methylamino]propane-1,2-diol.
What is the SMILES notation for 3-[(2-methylcyclohexyl)methylamino]propane-1,2-diol?
The canonical SMILES for 3-[(2-methylcyclohexyl)methylamino]propane-1,2-diol is CC1CCCCC1CNCC(O)CO.
What is the InChIKey of 3-[(2-methylcyclohexyl)methylamino]propane-1,2-diol?
The InChIKey is AZTCYSRQKOYYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-9-4-2-3-5-10(9)6-12-7-11(14)8-13/h9-14H,2-8H2,1H3.
What are the key properties of 3-[(2-methylcyclohexyl)methylamino]propane-1,2-diol?
3-[(2-methylcyclohexyl)methylamino]propane-1,2-diol has a molecular weight of 201.31 g/mol, XLogP of 0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylcyclohexyl)methylamino]propane-1,2-diol is sourced from PubChem (CID 76912799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).