[1-(aminomethyl)-3,3-dimethylcyclohexyl] acetate

C11H21NO2 — CID 69292401

IUPAC[1-(aminomethyl)-3,3-dimethylcyclohexyl] acetate
SMILESCC(=O)OC1(CN)CCCC(C)(C)C1
InChIInChI=1S/C11H21NO2/c1-9(13)14-11(8-12)6-4-5-10(2,3)7-11/h4-8,12H2,1-3H3
InChIKeyWVQJCSNHOIBRTE-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.85
Rot. Bonds2

About [1-(aminomethyl)-3,3-dimethylcyclohexyl] acetate

[1-(aminomethyl)-3,3-dimethylcyclohexyl] acetate (PubChem CID 69292401) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is [1-(aminomethyl)-3,3-dimethylcyclohexyl] acetate.

Molecular Properties

Compound Name[1-(aminomethyl)-3,3-dimethylcyclohexyl] acetate
PubChem CID69292401
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name[1-(aminomethyl)-3,3-dimethylcyclohexyl] acetate
SMILESCC(=O)OC1(CN)CCCC(C)(C)C1
InChIInChI=1S/C11H21NO2/c1-9(13)14-11(8-12)6-4-5-10(2,3)7-11/h4-8,12H2,1-3H3
InChIKeyWVQJCSNHOIBRTE-UHFFFAOYSA-N
XLogP1.85
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(aminomethyl)-3,3-dimethylcyclohexyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-3,3-dimethylcyclohexyl] acetate?
The IUPAC name of [1-(aminomethyl)-3,3-dimethylcyclohexyl] acetate (CID 69292401) is [1-(aminomethyl)-3,3-dimethylcyclohexyl] acetate.
What is the SMILES notation for [1-(aminomethyl)-3,3-dimethylcyclohexyl] acetate?
The canonical SMILES for [1-(aminomethyl)-3,3-dimethylcyclohexyl] acetate is CC(=O)OC1(CN)CCCC(C)(C)C1.
What is the InChIKey of [1-(aminomethyl)-3,3-dimethylcyclohexyl] acetate?
The InChIKey is WVQJCSNHOIBRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(13)14-11(8-12)6-4-5-10(2,3)7-11/h4-8,12H2,1-3H3.
What are the key properties of [1-(aminomethyl)-3,3-dimethylcyclohexyl] acetate?
[1-(aminomethyl)-3,3-dimethylcyclohexyl] acetate has a molecular weight of 199.29 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-3,3-dimethylcyclohexyl] acetate is sourced from PubChem (CID 69292401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).