[2-(aminomethyl)cyclohexyl]methyl N,N-dimethylcarbamate

C11H22N2O2 — CID 79337568

IUPAC[2-(aminomethyl)cyclohexyl]methyl N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCC1CCCCC1CN
InChIInChI=1S/C11H22N2O2/c1-13(2)11(14)15-8-10-6-4-3-5-9(10)7-12/h9-10H,3-8,12H2,1-2H3
InChIKeyTZCRENSMVHFRHP-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.45
Rot. Bonds3

About [2-(aminomethyl)cyclohexyl]methyl N,N-dimethylcarbamate

[2-(aminomethyl)cyclohexyl]methyl N,N-dimethylcarbamate (PubChem CID 79337568) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is [2-(aminomethyl)cyclohexyl]methyl N,N-dimethylcarbamate.

Molecular Properties

Compound Name[2-(aminomethyl)cyclohexyl]methyl N,N-dimethylcarbamate
PubChem CID79337568
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name[2-(aminomethyl)cyclohexyl]methyl N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCC1CCCCC1CN
InChIInChI=1S/C11H22N2O2/c1-13(2)11(14)15-8-10-6-4-3-5-9(10)7-12/h9-10H,3-8,12H2,1-2H3
InChIKeyTZCRENSMVHFRHP-UHFFFAOYSA-N
XLogP1.45
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)cyclohexyl]methyl N,N-dimethylcarbamate?
The IUPAC name of [2-(aminomethyl)cyclohexyl]methyl N,N-dimethylcarbamate (CID 79337568) is [2-(aminomethyl)cyclohexyl]methyl N,N-dimethylcarbamate.
What is the SMILES notation for [2-(aminomethyl)cyclohexyl]methyl N,N-dimethylcarbamate?
The canonical SMILES for [2-(aminomethyl)cyclohexyl]methyl N,N-dimethylcarbamate is CN(C)C(=O)OCC1CCCCC1CN.
What is the InChIKey of [2-(aminomethyl)cyclohexyl]methyl N,N-dimethylcarbamate?
The InChIKey is TZCRENSMVHFRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-13(2)11(14)15-8-10-6-4-3-5-9(10)7-12/h9-10H,3-8,12H2,1-2H3.
What are the key properties of [2-(aminomethyl)cyclohexyl]methyl N,N-dimethylcarbamate?
[2-(aminomethyl)cyclohexyl]methyl N,N-dimethylcarbamate has a molecular weight of 214.31 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)cyclohexyl]methyl N,N-dimethylcarbamate is sourced from PubChem (CID 79337568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).