tert-butyl 3-(2-methoxypropylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate

C16H30N2O3 — CID 102696661

IUPACtert-butyl 3-(2-methoxypropylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCOC(C)CNC1CC2CCC(C1)N2C(=O)OC(C)(C)C
InChIInChI=1S/C16H30N2O3/c1-11(20-5)10-17-12-8-13-6-7-14(9-12)18(13)15(19)21-16(2,3)4/h11-14,17H,6-10H2,1-5H3
InChIKeyTYNZSCPVQDCESS-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.54
Rot. Bonds4

About tert-butyl 3-(2-methoxypropylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate

tert-butyl 3-(2-methoxypropylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 102696661) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is tert-butyl 3-(2-methoxypropylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2-methoxypropylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
PubChem CID102696661
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Nametert-butyl 3-(2-methoxypropylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCOC(C)CNC1CC2CCC(C1)N2C(=O)OC(C)(C)C
InChIInChI=1S/C16H30N2O3/c1-11(20-5)10-17-12-8-13-6-7-14(9-12)18(13)15(19)21-16(2,3)4/h11-14,17H,6-10H2,1-5H3
InChIKeyTYNZSCPVQDCESS-UHFFFAOYSA-N
XLogP2.54
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 3-(2-methoxypropylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate with MolForge

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Related Compounds

tert-Butyl 3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 22570519
8-azabicyclo[3.2.1]octan-6-yl N,N-dimethylcarbamate
CID 44318852
Tert-butyl 1-oxa-4,8-diazaspiro[4.5]decane-8-carboxylate
CID 7062127
rac-tert-butyl (1R,3S,5S)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 11218405
Exo-3-(boc-amino)-8-azabicyclo[3.2.1]octane
CID 14774663
tert-Butyl 4-[(2-methoxyethyl)amino]piperidine-1-carboxylate
CID 43652134
tert-Butyl 3-(ethylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 61238622
tert-Butyl 3-(cyclopropylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 61238778
Tert-butyl 3-(methylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 61238944
rac-tert-butyl (1R,2S,3R,5S)-3-amino-2-fluoro-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 146323860
Tert-butyl 2-(pyrrolidin-2-yl)morpholine-4-carboxylate
CID 82665346
tert-butyl N-{8-azabicyclo[3.2.1]octan-3-yl}-N-methylcarbamate hydrochloride
CID 137951151

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-methoxypropylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of tert-butyl 3-(2-methoxypropylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate (CID 102696661) is tert-butyl 3-(2-methoxypropylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for tert-butyl 3-(2-methoxypropylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for tert-butyl 3-(2-methoxypropylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate is COC(C)CNC1CC2CCC(C1)N2C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-(2-methoxypropylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is TYNZSCPVQDCESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-11(20-5)10-17-12-8-13-6-7-14(9-12)18(13)15(19)21-16(2,3)4/h11-14,17H,6-10H2,1-5H3.
What are the key properties of tert-butyl 3-(2-methoxypropylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate?
tert-butyl 3-(2-methoxypropylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 298.43 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-methoxypropylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 102696661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).