methyl 1-(ethylamino)-3,3,5-trimethylcyclohexane-1-carboxylate

C13H25NO2 — CID 60787698

IUPACmethyl 1-(ethylamino)-3,3,5-trimethylcyclohexane-1-carboxylate
SMILESCCNC1(C(=O)OC)CC(C)CC(C)(C)C1
InChIInChI=1S/C13H25NO2/c1-6-14-13(11(15)16-5)8-10(2)7-12(3,4)9-13/h10,14H,6-9H2,1-5H3
InChIKeyXKYGWQYMCXBNBN-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.35
Rot. Bonds3

About methyl 1-(ethylamino)-3,3,5-trimethylcyclohexane-1-carboxylate

methyl 1-(ethylamino)-3,3,5-trimethylcyclohexane-1-carboxylate (PubChem CID 60787698) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is methyl 1-(ethylamino)-3,3,5-trimethylcyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(ethylamino)-3,3,5-trimethylcyclohexane-1-carboxylate
PubChem CID60787698
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Namemethyl 1-(ethylamino)-3,3,5-trimethylcyclohexane-1-carboxylate
SMILESCCNC1(C(=O)OC)CC(C)CC(C)(C)C1
InChIInChI=1S/C13H25NO2/c1-6-14-13(11(15)16-5)8-10(2)7-12(3,4)9-13/h10,14H,6-9H2,1-5H3
InChIKeyXKYGWQYMCXBNBN-UHFFFAOYSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

methyl 3,3,5-trimethyl-1-(methylamino)cyclohexane-1-carboxylate
CID 60787418
1-(2-methoxyethylamino)-3,3,5-trimethylcyclohexane-1-carboxylic acid
CID 61340491
methyl 1-(4-bromoanilino)-3,3,5-trimethylcyclohexane-1-carboxylate
CID 63524282
methyl 3-methyl-1-(prop-2-ynylamino)cyclobutane-1-carboxylate
CID 103563578
ethyl 1-(ethylamino)-3,5-dimethylcyclohexane-1-carboxylate
CID 64750726
methyl 1-(ethylamino)cyclododecane-1-carboxylate
CID 60788037
[1-(ethylamino)-3,3,5-trimethylcyclohexyl]methanol
CID 61050703
1-(3-hydroxypropylamino)-3,3,5-trimethylcyclohexane-1-carboxylic acid
CID 114994024
methyl 4-ethyl-1-(ethylamino)cyclohexane-1-carboxylate
CID 60787527
methyl 1-(ethylamino)-3-(3-methylpyrrolidin-1-yl)cyclohexane-1-carboxylate
CID 79641407
methyl 3-(dimethylamino)-1-(ethylamino)cyclohexane-1-carboxylate
CID 79636589
methyl 1-(ethylamino)-3-(trifluoromethyl)cyclohexane-1-carboxylate
CID 64757218

Frequently Asked Questions

What is the IUPAC name of methyl 1-(ethylamino)-3,3,5-trimethylcyclohexane-1-carboxylate?
The IUPAC name of methyl 1-(ethylamino)-3,3,5-trimethylcyclohexane-1-carboxylate (CID 60787698) is methyl 1-(ethylamino)-3,3,5-trimethylcyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-(ethylamino)-3,3,5-trimethylcyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-(ethylamino)-3,3,5-trimethylcyclohexane-1-carboxylate is CCNC1(C(=O)OC)CC(C)CC(C)(C)C1.
What is the InChIKey of methyl 1-(ethylamino)-3,3,5-trimethylcyclohexane-1-carboxylate?
The InChIKey is XKYGWQYMCXBNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-6-14-13(11(15)16-5)8-10(2)7-12(3,4)9-13/h10,14H,6-9H2,1-5H3.
What are the key properties of methyl 1-(ethylamino)-3,3,5-trimethylcyclohexane-1-carboxylate?
methyl 1-(ethylamino)-3,3,5-trimethylcyclohexane-1-carboxylate has a molecular weight of 227.35 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(ethylamino)-3,3,5-trimethylcyclohexane-1-carboxylate is sourced from PubChem (CID 60787698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).