methyl 3-(2,2-dimethylmorpholin-4-yl)-1-(methylamino)cyclohexane-1-carboxylate

C15H28N2O3 — CID 79641601

IUPACmethyl 3-(2,2-dimethylmorpholin-4-yl)-1-(methylamino)cyclohexane-1-carboxylate
SMILESCNC1(C(=O)OC)CCCC(N2CCOC(C)(C)C2)C1
InChIInChI=1S/C15H28N2O3/c1-14(2)11-17(8-9-20-14)12-6-5-7-15(10-12,16-3)13(18)19-4/h12,16H,5-11H2,1-4H3
InChIKeyBHLRVPKSJNLFOU-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.17
Rot. Bonds3

About methyl 3-(2,2-dimethylmorpholin-4-yl)-1-(methylamino)cyclohexane-1-carboxylate

methyl 3-(2,2-dimethylmorpholin-4-yl)-1-(methylamino)cyclohexane-1-carboxylate (PubChem CID 79641601) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is methyl 3-(2,2-dimethylmorpholin-4-yl)-1-(methylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2,2-dimethylmorpholin-4-yl)-1-(methylamino)cyclohexane-1-carboxylate
PubChem CID79641601
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Namemethyl 3-(2,2-dimethylmorpholin-4-yl)-1-(methylamino)cyclohexane-1-carboxylate
SMILESCNC1(C(=O)OC)CCCC(N2CCOC(C)(C)C2)C1
InChIInChI=1S/C15H28N2O3/c1-14(2)11-17(8-9-20-14)12-6-5-7-15(10-12,16-3)13(18)19-4/h12,16H,5-11H2,1-4H3
InChIKeyBHLRVPKSJNLFOU-UHFFFAOYSA-N
XLogP1.17
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,2-dimethylmorpholin-4-yl)-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79655710
methyl 3-(8-azaspiro[4.5]decan-8-yl)-1-(methylamino)cyclopentane-1-carboxylate
CID 79644417
methyl 3-(2-ethylpiperidin-1-yl)-1-(methylamino)cyclohexane-1-carboxylate
CID 79636980
3-(3,3-dimethylpiperidin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide
CID 79641849
[3-(2,2-dimethylmorpholin-4-yl)-1-(methylamino)cyclopentyl]methanol
CID 79656046
methyl 1-(methylamino)-3-(2-propylpiperidin-1-yl)cyclohexane-1-carboxylate
CID 83044318
methyl 3-(2-methylmorpholin-4-yl)-1-(propan-2-ylamino)cyclohexane-1-carboxylate
CID 79627803
methyl 1-(methylamino)-3-(4-propan-2-ylpiperazin-1-yl)cyclopentane-1-carboxylate
CID 79655269
methyl 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-(methylamino)cyclohexane-1-carboxylate
CID 79628708
methyl 3-(azocan-1-yl)-1-(ethylamino)cyclohexane-1-carboxylate
CID 79628664
ethyl 1-(methylamino)-3-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylate
CID 79636962
ethyl 3-(3,3-dimethylmorpholin-4-yl)-1-(methylamino)cyclohexane-1-carboxylate
CID 79627679

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,2-dimethylmorpholin-4-yl)-1-(methylamino)cyclohexane-1-carboxylate?
The IUPAC name of methyl 3-(2,2-dimethylmorpholin-4-yl)-1-(methylamino)cyclohexane-1-carboxylate (CID 79641601) is methyl 3-(2,2-dimethylmorpholin-4-yl)-1-(methylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 3-(2,2-dimethylmorpholin-4-yl)-1-(methylamino)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 3-(2,2-dimethylmorpholin-4-yl)-1-(methylamino)cyclohexane-1-carboxylate is CNC1(C(=O)OC)CCCC(N2CCOC(C)(C)C2)C1.
What is the InChIKey of methyl 3-(2,2-dimethylmorpholin-4-yl)-1-(methylamino)cyclohexane-1-carboxylate?
The InChIKey is BHLRVPKSJNLFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-14(2)11-17(8-9-20-14)12-6-5-7-15(10-12,16-3)13(18)19-4/h12,16H,5-11H2,1-4H3.
What are the key properties of methyl 3-(2,2-dimethylmorpholin-4-yl)-1-(methylamino)cyclohexane-1-carboxylate?
methyl 3-(2,2-dimethylmorpholin-4-yl)-1-(methylamino)cyclohexane-1-carboxylate has a molecular weight of 284.40 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,2-dimethylmorpholin-4-yl)-1-(methylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 79641601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).