ethyl 3,5-dimethyl-1-(propylamino)cyclohexane-1-carboxylate

C14H27NO2 — CID 64751111

IUPACethyl 3,5-dimethyl-1-(propylamino)cyclohexane-1-carboxylate
SMILESCCCNC1(C(=O)OCC)CC(C)CC(C)C1
InChIInChI=1S/C14H27NO2/c1-5-7-15-14(13(16)17-6-2)9-11(3)8-12(4)10-14/h11-12,15H,5-10H2,1-4H3
InChIKeyLYHASYOWINEQJF-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.74
Rot. Bonds5

About ethyl 3,5-dimethyl-1-(propylamino)cyclohexane-1-carboxylate

ethyl 3,5-dimethyl-1-(propylamino)cyclohexane-1-carboxylate (PubChem CID 64751111) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is ethyl 3,5-dimethyl-1-(propylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 3,5-dimethyl-1-(propylamino)cyclohexane-1-carboxylate
PubChem CID64751111
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Nameethyl 3,5-dimethyl-1-(propylamino)cyclohexane-1-carboxylate
SMILESCCCNC1(C(=O)OCC)CC(C)CC(C)C1
InChIInChI=1S/C14H27NO2/c1-5-7-15-14(13(16)17-6-2)9-11(3)8-12(4)10-14/h11-12,15H,5-10H2,1-4H3
InChIKeyLYHASYOWINEQJF-UHFFFAOYSA-N
XLogP2.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-(ethylamino)-3,5-dimethylcyclohexane-1-carboxylate
CID 64750726
ethyl 4-methyl-1-(propylamino)cyclohexane-1-carboxylate
CID 60796516
3,5-dimethyl-1-(propylamino)cyclohexane-1-carboxylic acid
CID 64752076
ethyl 1-(cyclopropylmethylamino)-3-methylcyclobutane-1-carboxylate
CID 103563541
ethyl 1-(propylamino)cycloheptane-1-carboxylate
CID 60796518
ethyl 2,5-dimethyl-1-(propylamino)cyclohexane-1-carboxylate
CID 64754127
ethyl 1-(2-methoxyethylamino)-3-methylcyclopentane-1-carboxylate
CID 64516424
ethyl 3-(dimethylamino)-1-(propylamino)cyclopentane-1-carboxylate
CID 79649561
methyl 1-(2-azidoethylamino)-3,5-dimethylcyclohexane-1-carboxylate
CID 66189232
ethyl 4-tert-butyl-1-(propylamino)cyclohexane-1-carboxylate
CID 60797035
ethyl 3-methoxy-1-(propylamino)cyclohexane-1-carboxylate
CID 79637630
ethyl 1-(2-bromoanilino)-3,5-dimethylcyclohexane-1-carboxylate
CID 64752668

Frequently Asked Questions

What is the IUPAC name of ethyl 3,5-dimethyl-1-(propylamino)cyclohexane-1-carboxylate?
The IUPAC name of ethyl 3,5-dimethyl-1-(propylamino)cyclohexane-1-carboxylate (CID 64751111) is ethyl 3,5-dimethyl-1-(propylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 3,5-dimethyl-1-(propylamino)cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 3,5-dimethyl-1-(propylamino)cyclohexane-1-carboxylate is CCCNC1(C(=O)OCC)CC(C)CC(C)C1.
What is the InChIKey of ethyl 3,5-dimethyl-1-(propylamino)cyclohexane-1-carboxylate?
The InChIKey is LYHASYOWINEQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-5-7-15-14(13(16)17-6-2)9-11(3)8-12(4)10-14/h11-12,15H,5-10H2,1-4H3.
What are the key properties of ethyl 3,5-dimethyl-1-(propylamino)cyclohexane-1-carboxylate?
ethyl 3,5-dimethyl-1-(propylamino)cyclohexane-1-carboxylate has a molecular weight of 241.37 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,5-dimethyl-1-(propylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 64751111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).