ethyl 1-(methylamino)-3-(2-methylpyrrolidin-1-yl)cyclohexane-1-carboxylate

C15H28N2O2 — CID 79636107

IUPACethyl 1-(methylamino)-3-(2-methylpyrrolidin-1-yl)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(NC)CCCC(N2CCCC2C)C1
InChIInChI=1S/C15H28N2O2/c1-4-19-14(18)15(16-3)9-5-8-13(11-15)17-10-6-7-12(17)2/h12-13,16H,4-11H2,1-3H3
InChIKeyHITTXMLEVKQGCR-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.93
Rot. Bonds4

About ethyl 1-(methylamino)-3-(2-methylpyrrolidin-1-yl)cyclohexane-1-carboxylate

ethyl 1-(methylamino)-3-(2-methylpyrrolidin-1-yl)cyclohexane-1-carboxylate (PubChem CID 79636107) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is ethyl 1-(methylamino)-3-(2-methylpyrrolidin-1-yl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(methylamino)-3-(2-methylpyrrolidin-1-yl)cyclohexane-1-carboxylate
PubChem CID79636107
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Nameethyl 1-(methylamino)-3-(2-methylpyrrolidin-1-yl)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(NC)CCCC(N2CCCC2C)C1
InChIInChI=1S/C15H28N2O2/c1-4-19-14(18)15(16-3)9-5-8-13(11-15)17-10-6-7-12(17)2/h12-13,16H,4-11H2,1-3H3
InChIKeyHITTXMLEVKQGCR-UHFFFAOYSA-N
XLogP1.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(methylamino)-3-(2-methylpiperidin-1-yl)cyclohexane-1-carboxylate
CID 79637035
ethyl 3-(2-ethylpyrrolidin-1-yl)-1-(methylamino)cyclohexane-1-carboxylate
CID 79636182
ethyl 3-(2-methylpyrrolidin-1-yl)-1-(propylamino)cyclopentane-1-carboxylate
CID 79649919
ethyl 1-(methylamino)-3-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylate
CID 79636962
methyl 1-(ethylamino)-3-(2-methylpyrrolidin-1-yl)cyclohexane-1-carboxylate
CID 79636339
ethyl 1-(cyclopropylamino)-3-(2-methylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 79645150
ethyl 3-(2,6-dimethylmorpholin-4-yl)-1-(methylamino)cyclohexane-1-carboxylate
CID 79626926
ethyl 3-(3-methoxypiperidin-1-yl)-1-(methylamino)cyclohexane-1-carboxylate
CID 102966602
ethyl 1-(methylamino)-3-pyrrolidin-1-ylcyclopentane-1-carboxylate
CID 79649541
ethyl 3-(4-chloro-3-methylpyrazol-1-yl)-1-(methylamino)cyclohexane-1-carboxylate
CID 79638065
ethyl 3-(3,3-dimethylmorpholin-4-yl)-1-(methylamino)cyclohexane-1-carboxylate
CID 79627679
3-(2-methylpyrrolidin-1-yl)-1-(propan-2-ylamino)cyclohexane-1-carboxamide
CID 79637102

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(methylamino)-3-(2-methylpyrrolidin-1-yl)cyclohexane-1-carboxylate?
The IUPAC name of ethyl 1-(methylamino)-3-(2-methylpyrrolidin-1-yl)cyclohexane-1-carboxylate (CID 79636107) is ethyl 1-(methylamino)-3-(2-methylpyrrolidin-1-yl)cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 1-(methylamino)-3-(2-methylpyrrolidin-1-yl)cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 1-(methylamino)-3-(2-methylpyrrolidin-1-yl)cyclohexane-1-carboxylate is CCOC(=O)C1(NC)CCCC(N2CCCC2C)C1.
What is the InChIKey of ethyl 1-(methylamino)-3-(2-methylpyrrolidin-1-yl)cyclohexane-1-carboxylate?
The InChIKey is HITTXMLEVKQGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-4-19-14(18)15(16-3)9-5-8-13(11-15)17-10-6-7-12(17)2/h12-13,16H,4-11H2,1-3H3.
What are the key properties of ethyl 1-(methylamino)-3-(2-methylpyrrolidin-1-yl)cyclohexane-1-carboxylate?
ethyl 1-(methylamino)-3-(2-methylpyrrolidin-1-yl)cyclohexane-1-carboxylate has a molecular weight of 268.40 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(methylamino)-3-(2-methylpyrrolidin-1-yl)cyclohexane-1-carboxylate is sourced from PubChem (CID 79636107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).