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

C15H26N2O2 — CID 61238778

IUPACtert-butyl 3-(cyclopropylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1C2CCC1CC(NC1CC1)C2
InChIInChI=1S/C15H26N2O2/c1-15(2,3)19-14(18)17-12-6-7-13(17)9-11(8-12)16-10-4-5-10/h10-13,16H,4-9H2,1-3H3
InChIKeyPOKNUFLZKRIQBD-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.67
Rot. Bonds2

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

tert-butyl 3-(cyclopropylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 61238778) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is tert-butyl 3-(cyclopropylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(cyclopropylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
PubChem CID61238778
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Nametert-butyl 3-(cyclopropylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1C2CCC1CC(NC1CC1)C2
InChIInChI=1S/C15H26N2O2/c1-15(2,3)19-14(18)17-12-6-7-13(17)9-11(8-12)16-10-4-5-10/h10-13,16H,4-9H2,1-3H3
InChIKeyPOKNUFLZKRIQBD-UHFFFAOYSA-N
XLogP2.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(cyclopropylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of tert-butyl 3-(cyclopropylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate (CID 61238778) is tert-butyl 3-(cyclopropylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for tert-butyl 3-(cyclopropylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for tert-butyl 3-(cyclopropylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate is CC(C)(C)OC(=O)N1C2CCC1CC(NC1CC1)C2.
What is the InChIKey of tert-butyl 3-(cyclopropylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is POKNUFLZKRIQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-15(2,3)19-14(18)17-12-6-7-13(17)9-11(8-12)16-10-4-5-10/h10-13,16H,4-9H2,1-3H3.
What are the key properties of tert-butyl 3-(cyclopropylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate?
tert-butyl 3-(cyclopropylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 266.38 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(cyclopropylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 61238778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).