methyl 1-(ethylamino)-3-(2-propan-2-ylpyrrolidin-1-yl)cyclohexane-1-carboxylate

C17H32N2O2 — CID 79633977

IUPACmethyl 1-(ethylamino)-3-(2-propan-2-ylpyrrolidin-1-yl)cyclohexane-1-carboxylate
SMILESCCNC1(C(=O)OC)CCCC(N2CCCC2C(C)C)C1
InChIInChI=1S/C17H32N2O2/c1-5-18-17(16(20)21-4)10-6-8-14(12-17)19-11-7-9-15(19)13(2)3/h13-15,18H,5-12H2,1-4H3
InChIKeyDDECHGDVWQWYQG-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.57
Rot. Bonds5

About methyl 1-(ethylamino)-3-(2-propan-2-ylpyrrolidin-1-yl)cyclohexane-1-carboxylate

methyl 1-(ethylamino)-3-(2-propan-2-ylpyrrolidin-1-yl)cyclohexane-1-carboxylate (PubChem CID 79633977) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is methyl 1-(ethylamino)-3-(2-propan-2-ylpyrrolidin-1-yl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(ethylamino)-3-(2-propan-2-ylpyrrolidin-1-yl)cyclohexane-1-carboxylate
PubChem CID79633977
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Namemethyl 1-(ethylamino)-3-(2-propan-2-ylpyrrolidin-1-yl)cyclohexane-1-carboxylate
SMILESCCNC1(C(=O)OC)CCCC(N2CCCC2C(C)C)C1
InChIInChI=1S/C17H32N2O2/c1-5-18-17(16(20)21-4)10-6-8-14(12-17)19-11-7-9-15(19)13(2)3/h13-15,18H,5-12H2,1-4H3
InChIKeyDDECHGDVWQWYQG-UHFFFAOYSA-N
XLogP2.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 1-(ethylamino)-3-(2-propan-2-ylpyrrolidin-1-yl)cyclohexane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-(ethylamino)-3-(2-propan-2-ylpyrrolidin-1-yl)cyclopentane-1-carboxylate
CID 79651308
methyl 1-(ethylamino)-3-(2-methylpyrrolidin-1-yl)cyclohexane-1-carboxylate
CID 79636339
methyl 3-(azocan-1-yl)-1-(ethylamino)cyclohexane-1-carboxylate
CID 79628664
methyl 1-(ethylamino)-3-(2-ethylpyrrolidin-1-yl)cyclopentane-1-carboxylate
CID 79649918
methyl 1-(ethylamino)-3-(4-propan-2-ylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 103502038
methyl 1-(ethylamino)-3-(3-methylpyrrolidin-1-yl)cyclohexane-1-carboxylate
CID 79641407
methyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(ethylamino)cyclohexane-1-carboxylate
CID 115561475
1-(ethylamino)-3-(2-propan-2-ylpyrrolidin-1-yl)cyclohexane-1-carbonitrile
CID 79625823
methyl 1-(ethylamino)-3-(trifluoromethyl)cyclohexane-1-carboxylate
CID 64757218
methyl 3-(2-ethylpiperidin-1-yl)-1-(methylamino)cyclohexane-1-carboxylate
CID 79636980
methyl 3-(dimethylamino)-1-(ethylamino)cyclohexane-1-carboxylate
CID 79636589
methyl 1-(methylamino)-3-(2-propylpiperidin-1-yl)cyclohexane-1-carboxylate
CID 83044318

Frequently Asked Questions

What is the IUPAC name of methyl 1-(ethylamino)-3-(2-propan-2-ylpyrrolidin-1-yl)cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-(ethylamino)-3-(2-propan-2-ylpyrrolidin-1-yl)cyclohexane-1-carboxylate (CID 79633977) is methyl 1-(ethylamino)-3-(2-propan-2-ylpyrrolidin-1-yl)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-(ethylamino)-3-(2-propan-2-ylpyrrolidin-1-yl)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-(ethylamino)-3-(2-propan-2-ylpyrrolidin-1-yl)cyclohexane-1-carboxylate is CCNC1(C(=O)OC)CCCC(N2CCCC2C(C)C)C1.
What is the InChIKey of methyl 1-(ethylamino)-3-(2-propan-2-ylpyrrolidin-1-yl)cyclohexane-1-carboxylate?
The InChIKey is DDECHGDVWQWYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-5-18-17(16(20)21-4)10-6-8-14(12-17)19-11-7-9-15(19)13(2)3/h13-15,18H,5-12H2,1-4H3.
What are the key properties of methyl 1-(ethylamino)-3-(2-propan-2-ylpyrrolidin-1-yl)cyclohexane-1-carboxylate?
methyl 1-(ethylamino)-3-(2-propan-2-ylpyrrolidin-1-yl)cyclohexane-1-carboxylate has a molecular weight of 296.45 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(ethylamino)-3-(2-propan-2-ylpyrrolidin-1-yl)cyclohexane-1-carboxylate is sourced from PubChem (CID 79633977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).