tert-butyl 3-[(1-ethylpyrrolidin-2-yl)methylamino]-8-azabicyclo[3.2.1]octane-8-carboxylate

C19H35N3O2 — CID 113226535

IUPACtert-butyl 3-[(1-ethylpyrrolidin-2-yl)methylamino]-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCCN1CCCC1CNC1CC2CCC(C1)N2C(=O)OC(C)(C)C
InChIInChI=1S/C19H35N3O2/c1-5-21-10-6-7-17(21)13-20-14-11-15-8-9-16(12-14)22(15)18(23)24-19(2,3)4/h14-17,20H,5-13H2,1-4H3
InChIKeyLYFPPTZOCASOCW-UHFFFAOYSA-N
MW337.51 g/mol
LogP2.99
Rot. Bonds4

About tert-butyl 3-[(1-ethylpyrrolidin-2-yl)methylamino]-8-azabicyclo[3.2.1]octane-8-carboxylate

tert-butyl 3-[(1-ethylpyrrolidin-2-yl)methylamino]-8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 113226535) has the molecular formula C19H35N3O2 and a molecular weight of 337.51 g/mol. Its IUPAC name is tert-butyl 3-[(1-ethylpyrrolidin-2-yl)methylamino]-8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(1-ethylpyrrolidin-2-yl)methylamino]-8-azabicyclo[3.2.1]octane-8-carboxylate
PubChem CID113226535
Molecular FormulaC19H35N3O2
Molecular Weight337.51 g/mol
Exact Mass337.27
IUPAC Nametert-butyl 3-[(1-ethylpyrrolidin-2-yl)methylamino]-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCCN1CCCC1CNC1CC2CCC(C1)N2C(=O)OC(C)(C)C
InChIInChI=1S/C19H35N3O2/c1-5-21-10-6-7-17(21)13-20-14-11-15-8-9-16(12-14)22(15)18(23)24-19(2,3)4/h14-17,20H,5-13H2,1-4H3
InChIKeyLYFPPTZOCASOCW-UHFFFAOYSA-N
XLogP2.99
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 3-[(1-ethylpyrrolidin-2-yl)methylamino]-8-azabicyclo[3.2.1]octane-8-carboxylate with MolForge

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Related Compounds

tert-butyl (1S,5S)-3-(methylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 98122671
tert-butyl 3-(ethoxyamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 82710466
tert-butyl 3-[[N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylcarbamimidoyl]amino]azetidine-1-carboxylate;hydroiodide
CID 109467151
tert-butyl 3-(2-ethoxypropylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 103944098
tert-butyl (1S,5S)-3-hydrazinyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 58338154
tert-butyl 3-(piperidin-1-ylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 103881761
tert-butyl 3-[(2,2-difluoro-3-hydroxypropyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 104857661
tert-butyl 2-[(cyclooctylamino)methyl]pyrrolidine-1-carboxylate
CID 106636324
cis-(1R,3S)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methylcyclopentan-1-amine
CID 95376229
tert-butyl 3-(pent-4-ynylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 103944113
tert-butyl 3-[(2-ethylphenyl)methylamino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 113239400
tert-butyl 3-[(3-ethoxycyclobutyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 103921567

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(1-ethylpyrrolidin-2-yl)methylamino]-8-azabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of tert-butyl 3-[(1-ethylpyrrolidin-2-yl)methylamino]-8-azabicyclo[3.2.1]octane-8-carboxylate (CID 113226535) is tert-butyl 3-[(1-ethylpyrrolidin-2-yl)methylamino]-8-azabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for tert-butyl 3-[(1-ethylpyrrolidin-2-yl)methylamino]-8-azabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for tert-butyl 3-[(1-ethylpyrrolidin-2-yl)methylamino]-8-azabicyclo[3.2.1]octane-8-carboxylate is CCN1CCCC1CNC1CC2CCC(C1)N2C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-[(1-ethylpyrrolidin-2-yl)methylamino]-8-azabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is LYFPPTZOCASOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O2/c1-5-21-10-6-7-17(21)13-20-14-11-15-8-9-16(12-14)22(15)18(23)24-19(2,3)4/h14-17,20H,5-13H2,1-4H3.
What are the key properties of tert-butyl 3-[(1-ethylpyrrolidin-2-yl)methylamino]-8-azabicyclo[3.2.1]octane-8-carboxylate?
tert-butyl 3-[(1-ethylpyrrolidin-2-yl)methylamino]-8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 337.51 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(1-ethylpyrrolidin-2-yl)methylamino]-8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 113226535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).