methyl 4-ethyl-1-(ethylamino)cyclohexane-1-carboxylate

C12H23NO2 — CID 60787527

IUPACmethyl 4-ethyl-1-(ethylamino)cyclohexane-1-carboxylate
SMILESCCNC1(C(=O)OC)CCC(CC)CC1
InChIInChI=1S/C12H23NO2/c1-4-10-6-8-12(9-7-10,13-5-2)11(14)15-3/h10,13H,4-9H2,1-3H3
InChIKeyMAXKETNGVRGKRB-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.11
Rot. Bonds4

About methyl 4-ethyl-1-(ethylamino)cyclohexane-1-carboxylate

methyl 4-ethyl-1-(ethylamino)cyclohexane-1-carboxylate (PubChem CID 60787527) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is methyl 4-ethyl-1-(ethylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-ethyl-1-(ethylamino)cyclohexane-1-carboxylate
PubChem CID60787527
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Namemethyl 4-ethyl-1-(ethylamino)cyclohexane-1-carboxylate
SMILESCCNC1(C(=O)OC)CCC(CC)CC1
InChIInChI=1S/C12H23NO2/c1-4-10-6-8-12(9-7-10,13-5-2)11(14)15-3/h10,13H,4-9H2,1-3H3
InChIKeyMAXKETNGVRGKRB-UHFFFAOYSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-(ethylamino)cyclododecane-1-carboxylate
CID 60788037
methyl 1-(butan-2-ylamino)-4-ethylcyclohexane-1-carboxylate
CID 54908157
methyl 3-[3-amino-2-(methylamino)-3-oxopropyl]-1-(ethylamino)cyclopentane-1-carboxylate
CID 79650879
1-(cyclopropylmethylamino)-4-ethylcyclohexane-1-carboxylic acid
CID 61001600
ethyl 4-ethyl-1-(prop-2-enylamino)cyclohexane-1-carboxylate
CID 62353118
methyl 1-(benzylamino)-3-ethylcyclopentane-1-carboxylate
CID 64513799
ethyl 1-(2-azidoethylamino)-4-ethylcyclohexane-1-carboxylate
CID 66191221
methyl 3-[cyclobutylmethyl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate
CID 79651691
methyl 1-(ethylamino)-3-(2-methoxyethylsulfanyl)cyclopentane-1-carboxylate
CID 79653590
methyl 3-butoxy-1-(ethylamino)cyclopentane-1-carboxylate
CID 79648618
methyl 1-(ethylamino)-3-(2-ethylpyrrolidin-1-yl)cyclopentane-1-carboxylate
CID 79649918
methyl 4-ethyl-1-(3-methylanilino)cyclohexane-1-carboxylate
CID 60994222

Frequently Asked Questions

What is the IUPAC name of methyl 4-ethyl-1-(ethylamino)cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-ethyl-1-(ethylamino)cyclohexane-1-carboxylate (CID 60787527) is methyl 4-ethyl-1-(ethylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-ethyl-1-(ethylamino)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-ethyl-1-(ethylamino)cyclohexane-1-carboxylate is CCNC1(C(=O)OC)CCC(CC)CC1.
What is the InChIKey of methyl 4-ethyl-1-(ethylamino)cyclohexane-1-carboxylate?
The InChIKey is MAXKETNGVRGKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-4-10-6-8-12(9-7-10,13-5-2)11(14)15-3/h10,13H,4-9H2,1-3H3.
What are the key properties of methyl 4-ethyl-1-(ethylamino)cyclohexane-1-carboxylate?
methyl 4-ethyl-1-(ethylamino)cyclohexane-1-carboxylate has a molecular weight of 213.32 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-ethyl-1-(ethylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 60787527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).