[2-(aminomethyl)cyclopentyl] N,N-diethylcarbamate

C11H22N2O2 — CID 79338482

IUPAC[2-(aminomethyl)cyclopentyl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OC1CCCC1CN
InChIInChI=1S/C11H22N2O2/c1-3-13(4-2)11(14)15-10-7-5-6-9(10)8-12/h9-10H,3-8,12H2,1-2H3
InChIKeyFRQGSHCABNNDBL-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.59
Rot. Bonds4

About [2-(aminomethyl)cyclopentyl] N,N-diethylcarbamate

[2-(aminomethyl)cyclopentyl] N,N-diethylcarbamate (PubChem CID 79338482) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is [2-(aminomethyl)cyclopentyl] N,N-diethylcarbamate.

Molecular Properties

Compound Name[2-(aminomethyl)cyclopentyl] N,N-diethylcarbamate
PubChem CID79338482
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name[2-(aminomethyl)cyclopentyl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OC1CCCC1CN
InChIInChI=1S/C11H22N2O2/c1-3-13(4-2)11(14)15-10-7-5-6-9(10)8-12/h9-10H,3-8,12H2,1-2H3
InChIKeyFRQGSHCABNNDBL-UHFFFAOYSA-N
XLogP1.59
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)cyclopentyl] N,N-diethylcarbamate?
The IUPAC name of [2-(aminomethyl)cyclopentyl] N,N-diethylcarbamate (CID 79338482) is [2-(aminomethyl)cyclopentyl] N,N-diethylcarbamate.
What is the SMILES notation for [2-(aminomethyl)cyclopentyl] N,N-diethylcarbamate?
The canonical SMILES for [2-(aminomethyl)cyclopentyl] N,N-diethylcarbamate is CCN(CC)C(=O)OC1CCCC1CN.
What is the InChIKey of [2-(aminomethyl)cyclopentyl] N,N-diethylcarbamate?
The InChIKey is FRQGSHCABNNDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-13(4-2)11(14)15-10-7-5-6-9(10)8-12/h9-10H,3-8,12H2,1-2H3.
What are the key properties of [2-(aminomethyl)cyclopentyl] N,N-diethylcarbamate?
[2-(aminomethyl)cyclopentyl] N,N-diethylcarbamate has a molecular weight of 214.31 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)cyclopentyl] N,N-diethylcarbamate is sourced from PubChem (CID 79338482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).