methyl 3-(dimethylamino)-1-(ethylamino)cyclohexane-1-carboxylate

C12H24N2O2 — CID 79636589

IUPACmethyl 3-(dimethylamino)-1-(ethylamino)cyclohexane-1-carboxylate
SMILESCCNC1(C(=O)OC)CCCC(N(C)C)C1
InChIInChI=1S/C12H24N2O2/c1-5-13-12(11(15)16-4)8-6-7-10(9-12)14(2)3/h10,13H,5-9H2,1-4H3
InChIKeyWUUBPVBWHDBCLQ-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.01
Rot. Bonds4

About methyl 3-(dimethylamino)-1-(ethylamino)cyclohexane-1-carboxylate

methyl 3-(dimethylamino)-1-(ethylamino)cyclohexane-1-carboxylate (PubChem CID 79636589) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is methyl 3-(dimethylamino)-1-(ethylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(dimethylamino)-1-(ethylamino)cyclohexane-1-carboxylate
PubChem CID79636589
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Namemethyl 3-(dimethylamino)-1-(ethylamino)cyclohexane-1-carboxylate
SMILESCCNC1(C(=O)OC)CCCC(N(C)C)C1
InChIInChI=1S/C12H24N2O2/c1-5-13-12(11(15)16-4)8-6-7-10(9-12)14(2)3/h10,13H,5-9H2,1-4H3
InChIKeyWUUBPVBWHDBCLQ-UHFFFAOYSA-N
XLogP1.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(ethylamino)-3-[methyl(pentan-3-yl)amino]cyclohexane-1-carboxylate
CID 79636151
methyl 3-[2,2-dimethylpropyl(methyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate
CID 79642233
methyl 1-(ethylamino)-3-[methyl(oxolan-3-yl)amino]cyclohexane-1-carboxylate
CID 82743238
methyl 1-(ethylamino)-3-[methyl(3-methylbutyl)amino]cyclohexane-1-carboxylate
CID 79642096
methyl 3-(dimethylamino)-1-(propan-2-ylamino)cyclohexane-1-carboxylate
CID 79637045
methyl 3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate
CID 79626185
methyl 1-(ethylamino)-3-[propan-2-yl(propyl)amino]cyclohexane-1-carboxylate
CID 79636984
methyl 1-(ethylamino)-3-[methyl(2-propan-2-yloxyethyl)amino]cyclohexane-1-carboxylate
CID 81044395
methyl 3-[cyclobutylmethyl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate
CID 79651691
methyl 1-(ethylamino)-3-(trifluoromethyl)cyclohexane-1-carboxylate
CID 64757218
methyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(ethylamino)cyclohexane-1-carboxylate
CID 115561475
ethyl 1-(ethylamino)-3-[methyl(2-methylbutan-2-yl)amino]cyclohexane-1-carboxylate
CID 79633705

Frequently Asked Questions

What is the IUPAC name of methyl 3-(dimethylamino)-1-(ethylamino)cyclohexane-1-carboxylate?
The IUPAC name of methyl 3-(dimethylamino)-1-(ethylamino)cyclohexane-1-carboxylate (CID 79636589) is methyl 3-(dimethylamino)-1-(ethylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 3-(dimethylamino)-1-(ethylamino)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 3-(dimethylamino)-1-(ethylamino)cyclohexane-1-carboxylate is CCNC1(C(=O)OC)CCCC(N(C)C)C1.
What is the InChIKey of methyl 3-(dimethylamino)-1-(ethylamino)cyclohexane-1-carboxylate?
The InChIKey is WUUBPVBWHDBCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-5-13-12(11(15)16-4)8-6-7-10(9-12)14(2)3/h10,13H,5-9H2,1-4H3.
What are the key properties of methyl 3-(dimethylamino)-1-(ethylamino)cyclohexane-1-carboxylate?
methyl 3-(dimethylamino)-1-(ethylamino)cyclohexane-1-carboxylate has a molecular weight of 228.34 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(dimethylamino)-1-(ethylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 79636589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).