ethyl N-[4-(ethylamino)cyclohexyl]-N-methylcarbamate

C12H24N2O2 — CID 79122099

IUPACethyl N-[4-(ethylamino)cyclohexyl]-N-methylcarbamate
SMILESCCNC1CCC(N(C)C(=O)OCC)CC1
InChIInChI=1S/C12H24N2O2/c1-4-13-10-6-8-11(9-7-10)14(3)12(15)16-5-2/h10-11,13H,4-9H2,1-3H3
InChIKeyARGIJXSHKDHDBM-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.00
Rot. Bonds4

About ethyl N-[4-(ethylamino)cyclohexyl]-N-methylcarbamate

ethyl N-[4-(ethylamino)cyclohexyl]-N-methylcarbamate (PubChem CID 79122099) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is ethyl N-[4-(ethylamino)cyclohexyl]-N-methylcarbamate.

Molecular Properties

Compound Nameethyl N-[4-(ethylamino)cyclohexyl]-N-methylcarbamate
PubChem CID79122099
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nameethyl N-[4-(ethylamino)cyclohexyl]-N-methylcarbamate
SMILESCCNC1CCC(N(C)C(=O)OCC)CC1
InChIInChI=1S/C12H24N2O2/c1-4-13-10-6-8-11(9-7-10)14(3)12(15)16-5-2/h10-11,13H,4-9H2,1-3H3
InChIKeyARGIJXSHKDHDBM-UHFFFAOYSA-N
XLogP2.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-(ethylamino)cyclohexyl]-N-methylcarbamate?
The IUPAC name of ethyl N-[4-(ethylamino)cyclohexyl]-N-methylcarbamate (CID 79122099) is ethyl N-[4-(ethylamino)cyclohexyl]-N-methylcarbamate.
What is the SMILES notation for ethyl N-[4-(ethylamino)cyclohexyl]-N-methylcarbamate?
The canonical SMILES for ethyl N-[4-(ethylamino)cyclohexyl]-N-methylcarbamate is CCNC1CCC(N(C)C(=O)OCC)CC1.
What is the InChIKey of ethyl N-[4-(ethylamino)cyclohexyl]-N-methylcarbamate?
The InChIKey is ARGIJXSHKDHDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-13-10-6-8-11(9-7-10)14(3)12(15)16-5-2/h10-11,13H,4-9H2,1-3H3.
What are the key properties of ethyl N-[4-(ethylamino)cyclohexyl]-N-methylcarbamate?
ethyl N-[4-(ethylamino)cyclohexyl]-N-methylcarbamate has a molecular weight of 228.34 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-(ethylamino)cyclohexyl]-N-methylcarbamate is sourced from PubChem (CID 79122099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).