methyl 1-(ethylamino)-3-(3-methylpyrrolidin-1-yl)cyclohexane-1-carboxylate

C15H28N2O2 — CID 79641407

IUPACmethyl 1-(ethylamino)-3-(3-methylpyrrolidin-1-yl)cyclohexane-1-carboxylate
SMILESCCNC1(C(=O)OC)CCCC(N2CCC(C)C2)C1
InChIInChI=1S/C15H28N2O2/c1-4-16-15(14(18)19-3)8-5-6-13(10-15)17-9-7-12(2)11-17/h12-13,16H,4-11H2,1-3H3
InChIKeyGQEHKUXFVLDBHV-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.79
Rot. Bonds4

About methyl 1-(ethylamino)-3-(3-methylpyrrolidin-1-yl)cyclohexane-1-carboxylate

methyl 1-(ethylamino)-3-(3-methylpyrrolidin-1-yl)cyclohexane-1-carboxylate (PubChem CID 79641407) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is methyl 1-(ethylamino)-3-(3-methylpyrrolidin-1-yl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(ethylamino)-3-(3-methylpyrrolidin-1-yl)cyclohexane-1-carboxylate
PubChem CID79641407
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Namemethyl 1-(ethylamino)-3-(3-methylpyrrolidin-1-yl)cyclohexane-1-carboxylate
SMILESCCNC1(C(=O)OC)CCCC(N2CCC(C)C2)C1
InChIInChI=1S/C15H28N2O2/c1-4-16-15(14(18)19-3)8-5-6-13(10-15)17-9-7-12(2)11-17/h12-13,16H,4-11H2,1-3H3
InChIKeyGQEHKUXFVLDBHV-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(azocan-1-yl)-1-(ethylamino)cyclohexane-1-carboxylate
CID 79628664
methyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(ethylamino)cyclohexane-1-carboxylate
CID 115561475
methyl 1-(ethylamino)-3-(2-methylpyrrolidin-1-yl)cyclohexane-1-carboxylate
CID 79636339
ethyl 3-(3-methylpyrrolidin-1-yl)-1-(propan-2-ylamino)cyclohexane-1-carboxylate
CID 79628499
methyl 1-(ethylamino)-3-(2-propan-2-ylpyrrolidin-1-yl)cyclohexane-1-carboxylate
CID 79633977
methyl 1-(ethylamino)-3-(4-propan-2-ylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 103502038
1-(ethylamino)-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexane-1-carboxamide
CID 79641984
3-(2,5-dimethylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carboxylic acid
CID 79641319
3-(3,4-dimethoxypyrrolidin-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide
CID 103538166
3-(4-cyclopropylpiperazin-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide
CID 79628200
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-methylpyrrolidin-1-yl)cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-(ethylamino)-3-(3-methylpyrrolidin-1-yl)cyclohexane-1-carboxylate (CID 79641407) is methyl 1-(ethylamino)-3-(3-methylpyrrolidin-1-yl)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-(ethylamino)-3-(3-methylpyrrolidin-1-yl)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-(ethylamino)-3-(3-methylpyrrolidin-1-yl)cyclohexane-1-carboxylate is CCNC1(C(=O)OC)CCCC(N2CCC(C)C2)C1.
What is the InChIKey of methyl 1-(ethylamino)-3-(3-methylpyrrolidin-1-yl)cyclohexane-1-carboxylate?
The InChIKey is GQEHKUXFVLDBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-4-16-15(14(18)19-3)8-5-6-13(10-15)17-9-7-12(2)11-17/h12-13,16H,4-11H2,1-3H3.
What are the key properties of methyl 1-(ethylamino)-3-(3-methylpyrrolidin-1-yl)cyclohexane-1-carboxylate?
methyl 1-(ethylamino)-3-(3-methylpyrrolidin-1-yl)cyclohexane-1-carboxylate has a molecular weight of 268.40 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(ethylamino)-3-(3-methylpyrrolidin-1-yl)cyclohexane-1-carboxylate is sourced from PubChem (CID 79641407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).