cyclopentyl 3-tert-butyl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate

C15H26N2O2 — CID 134507438

IUPACcyclopentyl 3-tert-butyl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate
SMILESCC(C)(C)N1CC2CC(C1)N2C(=O)OC1CCCC1
InChIInChI=1S/C15H26N2O2/c1-15(2,3)16-9-11-8-12(10-16)17(11)14(18)19-13-6-4-5-7-13/h11-13H,4-10H2,1-3H3
InChIKeyKEWCDBMNMFPCTC-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.62
Rot. Bonds1

About cyclopentyl 3-tert-butyl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate

cyclopentyl 3-tert-butyl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate (PubChem CID 134507438) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is cyclopentyl 3-tert-butyl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate.

Molecular Properties

Compound Namecyclopentyl 3-tert-butyl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate
PubChem CID134507438
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Namecyclopentyl 3-tert-butyl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate
SMILESCC(C)(C)N1CC2CC(C1)N2C(=O)OC1CCCC1
InChIInChI=1S/C15H26N2O2/c1-15(2,3)16-9-11-8-12(10-16)17(11)14(18)19-13-6-4-5-7-13/h11-13H,4-10H2,1-3H3
InChIKeyKEWCDBMNMFPCTC-UHFFFAOYSA-N
XLogP2.62
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl 3-tert-butyl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate?
The IUPAC name of cyclopentyl 3-tert-butyl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate (CID 134507438) is cyclopentyl 3-tert-butyl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate.
What is the SMILES notation for cyclopentyl 3-tert-butyl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate?
The canonical SMILES for cyclopentyl 3-tert-butyl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate is CC(C)(C)N1CC2CC(C1)N2C(=O)OC1CCCC1.
What is the InChIKey of cyclopentyl 3-tert-butyl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate?
The InChIKey is KEWCDBMNMFPCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-15(2,3)16-9-11-8-12(10-16)17(11)14(18)19-13-6-4-5-7-13/h11-13H,4-10H2,1-3H3.
What are the key properties of cyclopentyl 3-tert-butyl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate?
cyclopentyl 3-tert-butyl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate has a molecular weight of 266.38 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 3-tert-butyl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate is sourced from PubChem (CID 134507438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).