ethyl 4-[(4-ethylcyclohexyl)amino]cyclohexane-1-carboxylate

C17H31NO2 — CID 60934435

IUPACethyl 4-[(4-ethylcyclohexyl)amino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(NC2CCC(CC)CC2)CC1
InChIInChI=1S/C17H31NO2/c1-3-13-5-9-15(10-6-13)18-16-11-7-14(8-12-16)17(19)20-4-2/h13-16,18H,3-12H2,1-2H3
InChIKeyJDKMKVPOFTYPAE-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.67
Rot. Bonds5

About ethyl 4-[(4-ethylcyclohexyl)amino]cyclohexane-1-carboxylate

ethyl 4-[(4-ethylcyclohexyl)amino]cyclohexane-1-carboxylate (PubChem CID 60934435) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is ethyl 4-[(4-ethylcyclohexyl)amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4-ethylcyclohexyl)amino]cyclohexane-1-carboxylate
PubChem CID60934435
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Nameethyl 4-[(4-ethylcyclohexyl)amino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(NC2CCC(CC)CC2)CC1
InChIInChI=1S/C17H31NO2/c1-3-13-5-9-15(10-6-13)18-16-11-7-14(8-12-16)17(19)20-4-2/h13-16,18H,3-12H2,1-2H3
InChIKeyJDKMKVPOFTYPAE-UHFFFAOYSA-N
XLogP3.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(cycloheptylamino)cyclohexane-1-carboxylate
CID 54867024
ethyl 4-(cyclooctylamino)cyclohexane-1-carboxylate
CID 60934314
ethyl 4-(oxan-4-ylamino)cyclohexane-1-carboxylate
CID 54866933
ethyl 4-[(1-carbamoylpiperidin-4-yl)amino]cyclohexane-1-carboxylate
CID 60933460
ethyl 4-[(4-aminocyclohexanecarbonyl)amino]cyclohexane-1-carboxylate
CID 60945042
ethyl 4-(methylaminomethyl)cyclohexane-1-carboxylate
CID 20757661
methyl 4-ethylcyclohexane-1-carboxylate;hydrochloride
CID 163685796
azane;ethyl cyclopropanecarboxylate;hydrochloride
CID 174491802
ethyl 4-[(1-cyclopropylpyrrolidin-3-yl)amino]cyclohexane-1-carboxylate
CID 62981321
ethyl 4-[(3-propan-2-ylcyclohexyl)amino]cyclohexane-1-carboxylate
CID 103922833
ethyl 4-(methoxycarbonylamino)cyclohexane-1-carboxylate
CID 115270432
ethyl 4-chlorocyclohexane-1-carboxylate
CID 44558677

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-ethylcyclohexyl)amino]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-[(4-ethylcyclohexyl)amino]cyclohexane-1-carboxylate (CID 60934435) is ethyl 4-[(4-ethylcyclohexyl)amino]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-[(4-ethylcyclohexyl)amino]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-[(4-ethylcyclohexyl)amino]cyclohexane-1-carboxylate is CCOC(=O)C1CCC(NC2CCC(CC)CC2)CC1.
What is the InChIKey of ethyl 4-[(4-ethylcyclohexyl)amino]cyclohexane-1-carboxylate?
The InChIKey is JDKMKVPOFTYPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-3-13-5-9-15(10-6-13)18-16-11-7-14(8-12-16)17(19)20-4-2/h13-16,18H,3-12H2,1-2H3.
What are the key properties of ethyl 4-[(4-ethylcyclohexyl)amino]cyclohexane-1-carboxylate?
ethyl 4-[(4-ethylcyclohexyl)amino]cyclohexane-1-carboxylate has a molecular weight of 281.44 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-ethylcyclohexyl)amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 60934435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).