[1-(aminomethyl)-3-methylcyclohexyl] acetate

C10H19NO2 — CID 10375157

IUPAC[1-(aminomethyl)-3-methylcyclohexyl] acetate
SMILESCC(=O)OC1(CN)CCCC(C)C1
InChIInChI=1S/C10H19NO2/c1-8-4-3-5-10(6-8,7-11)13-9(2)12/h8H,3-7,11H2,1-2H3
InChIKeyREQDPWDVYPQBNL-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.46
Rot. Bonds2

About [1-(aminomethyl)-3-methylcyclohexyl] acetate

[1-(aminomethyl)-3-methylcyclohexyl] acetate (PubChem CID 10375157) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is [1-(aminomethyl)-3-methylcyclohexyl] acetate.

Molecular Properties

Compound Name[1-(aminomethyl)-3-methylcyclohexyl] acetate
PubChem CID10375157
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name[1-(aminomethyl)-3-methylcyclohexyl] acetate
SMILESCC(=O)OC1(CN)CCCC(C)C1
InChIInChI=1S/C10H19NO2/c1-8-4-3-5-10(6-8,7-11)13-9(2)12/h8H,3-7,11H2,1-2H3
InChIKeyREQDPWDVYPQBNL-UHFFFAOYSA-N
XLogP1.46
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(Aminomethyl)cyclohexyl] acetate
CID 23174789
(1-Methoxy-3-methylcyclohexyl)methanamine
CID 15495984
(1-Methylcyclohexyl) 2-aminoacetate
CID 56994334
[1-(Aminomethyl)-4-tert-butylcyclohexyl] acetate
CID 57453563
[1-(Aminomethyl)cyclohexyl] 2-methylbutanoate
CID 68348480
[1-(Aminomethyl)cyclohexyl] acetate;hydrochloride
CID 68801396
[1-(Aminomethyl)-4-methylcyclohexyl] acetate
CID 69290951
[1-(Aminomethyl)-3,3,5,5-tetramethylcyclohexyl] acetate
CID 69291009
[1-(Aminomethyl)-4-propan-2-ylcyclohexyl] acetate
CID 69292286
[1-(Aminomethyl)-3,3-dimethylcyclohexyl] acetate
CID 69292401
[1-(Aminomethyl)cyclohexyl] butanoate
CID 69979425
(1-Amino-2-cyclohexylpropan-2-yl) acetate
CID 141049297

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-3-methylcyclohexyl] acetate?
The IUPAC name of [1-(aminomethyl)-3-methylcyclohexyl] acetate (CID 10375157) is [1-(aminomethyl)-3-methylcyclohexyl] acetate.
What is the SMILES notation for [1-(aminomethyl)-3-methylcyclohexyl] acetate?
The canonical SMILES for [1-(aminomethyl)-3-methylcyclohexyl] acetate is CC(=O)OC1(CN)CCCC(C)C1.
What is the InChIKey of [1-(aminomethyl)-3-methylcyclohexyl] acetate?
The InChIKey is REQDPWDVYPQBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-8-4-3-5-10(6-8,7-11)13-9(2)12/h8H,3-7,11H2,1-2H3.
What are the key properties of [1-(aminomethyl)-3-methylcyclohexyl] acetate?
[1-(aminomethyl)-3-methylcyclohexyl] acetate has a molecular weight of 185.27 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-3-methylcyclohexyl] acetate is sourced from PubChem (CID 10375157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).