ethyl 1-(ethylamino)-3,5-dimethylcyclohexane-1-carboxylate

C13H25NO2 — CID 64750726

IUPACethyl 1-(ethylamino)-3,5-dimethylcyclohexane-1-carboxylate
SMILESCCNC1(C(=O)OCC)CC(C)CC(C)C1
InChIInChI=1S/C13H25NO2/c1-5-14-13(12(15)16-6-2)8-10(3)7-11(4)9-13/h10-11,14H,5-9H2,1-4H3
InChIKeyNMRRCYLVKVYLCG-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.35
Rot. Bonds4

About ethyl 1-(ethylamino)-3,5-dimethylcyclohexane-1-carboxylate

ethyl 1-(ethylamino)-3,5-dimethylcyclohexane-1-carboxylate (PubChem CID 64750726) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is ethyl 1-(ethylamino)-3,5-dimethylcyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(ethylamino)-3,5-dimethylcyclohexane-1-carboxylate
PubChem CID64750726
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Nameethyl 1-(ethylamino)-3,5-dimethylcyclohexane-1-carboxylate
SMILESCCNC1(C(=O)OCC)CC(C)CC(C)C1
InChIInChI=1S/C13H25NO2/c1-5-14-13(12(15)16-6-2)8-10(3)7-11(4)9-13/h10-11,14H,5-9H2,1-4H3
InChIKeyNMRRCYLVKVYLCG-UHFFFAOYSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3,5-dimethyl-1-(propylamino)cyclohexane-1-carboxylate
CID 64751111
ethyl 1-(cyclopropylmethylamino)-3-methylcyclobutane-1-carboxylate
CID 103563541
ethyl 1-(2-bromoanilino)-3,5-dimethylcyclohexane-1-carboxylate
CID 64752668
ethyl 1-(ethylamino)-3-methylsulfanylcyclopentane-1-carboxylate
CID 79653865
ethyl 3-(ethylamino)thiolane-3-carboxylate
CID 60788380
ethyl 3-methyl-1-(2-methylpropylamino)cyclopentane-1-carboxylate
CID 64516421
ethyl 1-(2-methoxyethylamino)-3-methylcyclopentane-1-carboxylate
CID 64516424
ethyl 1-(ethylamino)-3-methylsulfanylcyclohexane-1-carboxylate
CID 79634825
ethyl 4-methyl-1-(propylamino)cyclohexane-1-carboxylate
CID 60796516
methyl 1-(ethylamino)-3,3,5-trimethylcyclohexane-1-carboxylate
CID 60787698
ethyl 1-(ethylamino)-3-[methyl(propan-2-yl)amino]cyclopentane-1-carboxylate
CID 79650420
ethyl 1-(ethylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylate
CID 54918720

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(ethylamino)-3,5-dimethylcyclohexane-1-carboxylate?
The IUPAC name of ethyl 1-(ethylamino)-3,5-dimethylcyclohexane-1-carboxylate (CID 64750726) is ethyl 1-(ethylamino)-3,5-dimethylcyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 1-(ethylamino)-3,5-dimethylcyclohexane-1-carboxylate?
The canonical SMILES for ethyl 1-(ethylamino)-3,5-dimethylcyclohexane-1-carboxylate is CCNC1(C(=O)OCC)CC(C)CC(C)C1.
What is the InChIKey of ethyl 1-(ethylamino)-3,5-dimethylcyclohexane-1-carboxylate?
The InChIKey is NMRRCYLVKVYLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-5-14-13(12(15)16-6-2)8-10(3)7-11(4)9-13/h10-11,14H,5-9H2,1-4H3.
What are the key properties of ethyl 1-(ethylamino)-3,5-dimethylcyclohexane-1-carboxylate?
ethyl 1-(ethylamino)-3,5-dimethylcyclohexane-1-carboxylate has a molecular weight of 227.35 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(ethylamino)-3,5-dimethylcyclohexane-1-carboxylate is sourced from PubChem (CID 64750726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).