ethyl N-[[1-(dimethylamino)cyclohexyl]methyl]carbamate

C12H24N2O2 — CID 60636371

IUPACethyl N-[[1-(dimethylamino)cyclohexyl]methyl]carbamate
SMILESCCOC(=O)NCC1(N(C)C)CCCCC1
InChIInChI=1S/C12H24N2O2/c1-4-16-11(15)13-10-12(14(2)3)8-6-5-7-9-12/h4-10H2,1-3H3,(H,13,15)
InChIKeyRUYWPCATYVHCFE-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.00
Rot. Bonds4

About ethyl N-[[1-(dimethylamino)cyclohexyl]methyl]carbamate

ethyl N-[[1-(dimethylamino)cyclohexyl]methyl]carbamate (PubChem CID 60636371) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is ethyl N-[[1-(dimethylamino)cyclohexyl]methyl]carbamate.

Molecular Properties

Compound Nameethyl N-[[1-(dimethylamino)cyclohexyl]methyl]carbamate
PubChem CID60636371
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nameethyl N-[[1-(dimethylamino)cyclohexyl]methyl]carbamate
SMILESCCOC(=O)NCC1(N(C)C)CCCCC1
InChIInChI=1S/C12H24N2O2/c1-4-16-11(15)13-10-12(14(2)3)8-6-5-7-9-12/h4-10H2,1-3H3,(H,13,15)
InChIKeyRUYWPCATYVHCFE-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-[[1-(dimethylamino)cyclohexyl]methyl]carbamate?
The IUPAC name of ethyl N-[[1-(dimethylamino)cyclohexyl]methyl]carbamate (CID 60636371) is ethyl N-[[1-(dimethylamino)cyclohexyl]methyl]carbamate.
What is the SMILES notation for ethyl N-[[1-(dimethylamino)cyclohexyl]methyl]carbamate?
The canonical SMILES for ethyl N-[[1-(dimethylamino)cyclohexyl]methyl]carbamate is CCOC(=O)NCC1(N(C)C)CCCCC1.
What is the InChIKey of ethyl N-[[1-(dimethylamino)cyclohexyl]methyl]carbamate?
The InChIKey is RUYWPCATYVHCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-16-11(15)13-10-12(14(2)3)8-6-5-7-9-12/h4-10H2,1-3H3,(H,13,15).
What are the key properties of ethyl N-[[1-(dimethylamino)cyclohexyl]methyl]carbamate?
ethyl N-[[1-(dimethylamino)cyclohexyl]methyl]carbamate 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-[[1-(dimethylamino)cyclohexyl]methyl]carbamate is sourced from PubChem (CID 60636371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).