ethyl 2-(cyclopropylamino)cyclohexane-1-carboxylate

C12H21NO2 — CID 154585688

IUPACethyl 2-(cyclopropylamino)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCCCC1NC1CC1
InChIInChI=1S/C12H21NO2/c1-2-15-12(14)10-5-3-4-6-11(10)13-9-7-8-9/h9-11,13H,2-8H2,1H3
InChIKeyGBQVBYRWMWGSQW-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.86
Rot. Bonds4

About ethyl 2-(cyclopropylamino)cyclohexane-1-carboxylate

ethyl 2-(cyclopropylamino)cyclohexane-1-carboxylate (PubChem CID 154585688) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is ethyl 2-(cyclopropylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(cyclopropylamino)cyclohexane-1-carboxylate
PubChem CID154585688
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Nameethyl 2-(cyclopropylamino)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCCCC1NC1CC1
InChIInChI=1S/C12H21NO2/c1-2-15-12(14)10-5-3-4-6-11(10)13-9-7-8-9/h9-11,13H,2-8H2,1H3
InChIKeyGBQVBYRWMWGSQW-UHFFFAOYSA-N
XLogP1.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (1R,2S)-2-aminocyclohexane-1-carboxylate hydrochloride
CID 2724641
methyl (1R,2R)-2-aminocyclohexane-1-carboxylate hydrochloride
CID 71433315
Methyl 2-aminocyclohexane-1-carboxylate hydrochloride
CID 75485442
rac-methyl (1R,2R)-2-aminocyclohexane-1-carboxylate hydrochloride
CID 91754378
Ethyl 2-aminocyclohexanecarboxylate
CID 4171533
rac-methyl (1R,2S)-2-aminocyclohexane-1-carboxylate hydrochloride
CID 71433316
methyl (1S,2R)-2-aminocyclohexane-1-carboxylate hydrochloride
CID 71433317
Ethyl 2-(propylamino)cyclohexane-1-carboxylate
CID 57577723
ethyl (2R,3R)-3-cyclohexylaziridine-2-carboxylate
CID 102348644
Methyl 2-methyl-2-(2-methylpentylamino)cyclohexane-1-carboxylate
CID 75450474
Ethyl(1r,2s)-2-aminocyclohexanecarboxylate
CID 818060
Cyclohexanecarboxylic acid, 2-(acetylamino)-, methyl ester, cis-
CID 287394

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopropylamino)cyclohexane-1-carboxylate?
The IUPAC name of ethyl 2-(cyclopropylamino)cyclohexane-1-carboxylate (CID 154585688) is ethyl 2-(cyclopropylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 2-(cyclopropylamino)cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 2-(cyclopropylamino)cyclohexane-1-carboxylate is CCOC(=O)C1CCCCC1NC1CC1.
What is the InChIKey of ethyl 2-(cyclopropylamino)cyclohexane-1-carboxylate?
The InChIKey is GBQVBYRWMWGSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-2-15-12(14)10-5-3-4-6-11(10)13-9-7-8-9/h9-11,13H,2-8H2,1H3.
What are the key properties of ethyl 2-(cyclopropylamino)cyclohexane-1-carboxylate?
ethyl 2-(cyclopropylamino)cyclohexane-1-carboxylate has a molecular weight of 211.30 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopropylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 154585688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).