3-[2-(aminomethyl)cyclohexyl]oxy-2-methylpropan-1-ol

C11H23NO2 — CID 106938411

IUPAC3-[2-(aminomethyl)cyclohexyl]oxy-2-methylpropan-1-ol
SMILESCC(CO)COC1CCCCC1CN
InChIInChI=1S/C11H23NO2/c1-9(7-13)8-14-11-5-3-2-4-10(11)6-12/h9-11,13H,2-8,12H2,1H3
InChIKeyUJKITSBYQNCVSO-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.15
Rot. Bonds5

About 3-[2-(aminomethyl)cyclohexyl]oxy-2-methylpropan-1-ol

3-[2-(aminomethyl)cyclohexyl]oxy-2-methylpropan-1-ol (PubChem CID 106938411) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-[2-(aminomethyl)cyclohexyl]oxy-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[2-(aminomethyl)cyclohexyl]oxy-2-methylpropan-1-ol
PubChem CID106938411
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name3-[2-(aminomethyl)cyclohexyl]oxy-2-methylpropan-1-ol
SMILESCC(CO)COC1CCCCC1CN
InChIInChI=1S/C11H23NO2/c1-9(7-13)8-14-11-5-3-2-4-10(11)6-12/h9-11,13H,2-8,12H2,1H3
InChIKeyUJKITSBYQNCVSO-UHFFFAOYSA-N
XLogP1.15
TPSA55.48 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 ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)cyclohexyl]oxy-2-methylpropan-1-ol?
The IUPAC name of 3-[2-(aminomethyl)cyclohexyl]oxy-2-methylpropan-1-ol (CID 106938411) is 3-[2-(aminomethyl)cyclohexyl]oxy-2-methylpropan-1-ol.
What is the SMILES notation for 3-[2-(aminomethyl)cyclohexyl]oxy-2-methylpropan-1-ol?
The canonical SMILES for 3-[2-(aminomethyl)cyclohexyl]oxy-2-methylpropan-1-ol is CC(CO)COC1CCCCC1CN.
What is the InChIKey of 3-[2-(aminomethyl)cyclohexyl]oxy-2-methylpropan-1-ol?
The InChIKey is UJKITSBYQNCVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-9(7-13)8-14-11-5-3-2-4-10(11)6-12/h9-11,13H,2-8,12H2,1H3.
What are the key properties of 3-[2-(aminomethyl)cyclohexyl]oxy-2-methylpropan-1-ol?
3-[2-(aminomethyl)cyclohexyl]oxy-2-methylpropan-1-ol has a molecular weight of 201.31 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)cyclohexyl]oxy-2-methylpropan-1-ol is sourced from PubChem (CID 106938411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).