tert-butyl 3-[ethylamino-(4-methylcyclohexyl)methyl]pyrrolidine-1-carboxylate

C19H36N2O2 — CID 107092463

IUPACtert-butyl 3-[ethylamino-(4-methylcyclohexyl)methyl]pyrrolidine-1-carboxylate
SMILESCCNC(C1CCC(C)CC1)C1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C19H36N2O2/c1-6-20-17(15-9-7-14(2)8-10-15)16-11-12-21(13-16)18(22)23-19(3,4)5/h14-17,20H,6-13H2,1-5H3
InChIKeyZZERDZPODVUAIV-UHFFFAOYSA-N
MW324.51 g/mol
LogP4.05
Rot. Bonds4

About tert-butyl 3-[ethylamino-(4-methylcyclohexyl)methyl]pyrrolidine-1-carboxylate

tert-butyl 3-[ethylamino-(4-methylcyclohexyl)methyl]pyrrolidine-1-carboxylate (PubChem CID 107092463) has the molecular formula C19H36N2O2 and a molecular weight of 324.51 g/mol. Its IUPAC name is tert-butyl 3-[ethylamino-(4-methylcyclohexyl)methyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[ethylamino-(4-methylcyclohexyl)methyl]pyrrolidine-1-carboxylate
PubChem CID107092463
Molecular FormulaC19H36N2O2
Molecular Weight324.51 g/mol
Exact Mass324.28
IUPAC Nametert-butyl 3-[ethylamino-(4-methylcyclohexyl)methyl]pyrrolidine-1-carboxylate
SMILESCCNC(C1CCC(C)CC1)C1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C19H36N2O2/c1-6-20-17(15-9-7-14(2)8-10-15)16-11-12-21(13-16)18(22)23-19(3,4)5/h14-17,20H,6-13H2,1-5H3
InChIKeyZZERDZPODVUAIV-UHFFFAOYSA-N
XLogP4.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-[1-(ethylamino)-3-methylbut-2-enyl]pyrrolidine-1-carboxylate
CID 107092544
tert-butyl 3-[1-(ethylamino)-3-methylbut-3-enyl]pyrrolidine-1-carboxylate
CID 107092540
tert-butyl 4-[cyclopropyl-(sulfanylamino)methyl]piperidine-1-carboxylate
CID 142509299
tert-butyl 3-[oxan-3-yl(propylamino)methyl]pyrrolidine-1-carboxylate
CID 107138754
tert-butyl (3S)-3-propan-2-ylpyrrolidine-1-carboxylate
CID 139452592
tert-butyl 3-[1-(ethylamino)pent-4-enyl]pyrrolidine-1-carboxylate
CID 107092460
tert-butyl (3R)-3-methylpyrrolidine-1-carboxylate
CID 59070240
tert-butyl (3S)-3-[(1S)-1-hydroxypropyl]pyrrolidine-1-carboxylate
CID 58104614
tert-butyl 3-[4,4-dimethyl-1-(propylamino)pentyl]pyrrolidine-1-carboxylate
CID 107092339
tert-butyl 4-[cyclopropyl-(sulfanylamino)methyl]piperidine-1-carboxylate;2-methylpropane
CID 142509298
tert-butyl 3-[4,4-dimethyl-1-(methylamino)pentyl]pyrrolidine-1-carboxylate
CID 107092341
tert-butyl 3-[ethylamino(thiophen-3-yl)methyl]pyrrolidine-1-carboxylate
CID 107092467

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[ethylamino-(4-methylcyclohexyl)methyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[ethylamino-(4-methylcyclohexyl)methyl]pyrrolidine-1-carboxylate (CID 107092463) is tert-butyl 3-[ethylamino-(4-methylcyclohexyl)methyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[ethylamino-(4-methylcyclohexyl)methyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[ethylamino-(4-methylcyclohexyl)methyl]pyrrolidine-1-carboxylate is CCNC(C1CCC(C)CC1)C1CCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[ethylamino-(4-methylcyclohexyl)methyl]pyrrolidine-1-carboxylate?
The InChIKey is ZZERDZPODVUAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O2/c1-6-20-17(15-9-7-14(2)8-10-15)16-11-12-21(13-16)18(22)23-19(3,4)5/h14-17,20H,6-13H2,1-5H3.
What are the key properties of tert-butyl 3-[ethylamino-(4-methylcyclohexyl)methyl]pyrrolidine-1-carboxylate?
tert-butyl 3-[ethylamino-(4-methylcyclohexyl)methyl]pyrrolidine-1-carboxylate has a molecular weight of 324.51 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[ethylamino-(4-methylcyclohexyl)methyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 107092463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).