methyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(ethylamino)cyclohexane-1-carboxylate

C17H30N2O2 — CID 115561475

IUPACmethyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(ethylamino)cyclohexane-1-carboxylate
SMILESCCNC1(C(=O)OC)CCCC(N2CC3CCCC3C2)C1
InChIInChI=1S/C17H30N2O2/c1-3-18-17(16(20)21-2)9-5-8-15(10-17)19-11-13-6-4-7-14(13)12-19/h13-15,18H,3-12H2,1-2H3
InChIKeyQQDYDBITAAZBGQ-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.18
Rot. Bonds4

About methyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(ethylamino)cyclohexane-1-carboxylate

methyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(ethylamino)cyclohexane-1-carboxylate (PubChem CID 115561475) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is methyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(ethylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(ethylamino)cyclohexane-1-carboxylate
PubChem CID115561475
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Namemethyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(ethylamino)cyclohexane-1-carboxylate
SMILESCCNC1(C(=O)OC)CCCC(N2CC3CCCC3C2)C1
InChIInChI=1S/C17H30N2O2/c1-3-18-17(16(20)21-2)9-5-8-15(10-17)19-11-13-6-4-7-14(13)12-19/h13-15,18H,3-12H2,1-2H3
InChIKeyQQDYDBITAAZBGQ-UHFFFAOYSA-N
XLogP2.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(ethylamino)cyclohexane-1-carboxylate with MolForge

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Related Compounds

methyl 3-(azocan-1-yl)-1-(ethylamino)cyclohexane-1-carboxylate
CID 79628664
ethyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(ethylamino)cyclopentane-1-carboxylate
CID 115561553
methyl 1-(ethylamino)-3-(3-methylpyrrolidin-1-yl)cyclohexane-1-carboxylate
CID 79641407
methyl 1-(ethylamino)-3-(2-methylpyrrolidin-1-yl)cyclohexane-1-carboxylate
CID 79636339
3-(3,4-dimethoxypyrrolidin-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide
CID 103538166
methyl 3-(dimethylamino)-1-(ethylamino)cyclohexane-1-carboxylate
CID 79636589
methyl 1-(ethylamino)-3-(2-propan-2-ylpyrrolidin-1-yl)cyclohexane-1-carboxylate
CID 79633977
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(methylamino)cyclohexane-1-carboxylic acid
CID 113336096
methyl 1-(ethylamino)-3-(trifluoromethyl)cyclohexane-1-carboxylate
CID 64757218
methyl 1-(ethylamino)-3-(4-propan-2-ylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 103502038
methyl 3-[2,2-dimethylpropyl(methyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate
CID 79642233
methyl 1-(ethylamino)-3-[methyl(pentan-3-yl)amino]cyclohexane-1-carboxylate
CID 79636151

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(ethylamino)cyclohexane-1-carboxylate?
The IUPAC name of methyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(ethylamino)cyclohexane-1-carboxylate (CID 115561475) is methyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(ethylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(ethylamino)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(ethylamino)cyclohexane-1-carboxylate is CCNC1(C(=O)OC)CCCC(N2CC3CCCC3C2)C1.
What is the InChIKey of methyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(ethylamino)cyclohexane-1-carboxylate?
The InChIKey is QQDYDBITAAZBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-3-18-17(16(20)21-2)9-5-8-15(10-17)19-11-13-6-4-7-14(13)12-19/h13-15,18H,3-12H2,1-2H3.
What are the key properties of methyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(ethylamino)cyclohexane-1-carboxylate?
methyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(ethylamino)cyclohexane-1-carboxylate has a molecular weight of 294.44 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(ethylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 115561475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).