8-tert-butyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane

C13H26N2 — CID 59568691

IUPAC8-tert-butyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
SMILESCC(C)N1CC2CCC(C1)N2C(C)(C)C
InChIInChI=1S/C13H26N2/c1-10(2)14-8-11-6-7-12(9-14)15(11)13(3,4)5/h10-12H,6-9H2,1-5H3
InChIKeyLRHYJBNMLISRIH-UHFFFAOYSA-N
MW210.37 g/mol
LogP2.34
Rot. Bonds1

About 8-tert-butyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane

8-tert-butyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane (PubChem CID 59568691) has the molecular formula C13H26N2 and a molecular weight of 210.37 g/mol. Its IUPAC name is 8-tert-butyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-tert-butyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
PubChem CID59568691
Molecular FormulaC13H26N2
Molecular Weight210.37 g/mol
Exact Mass210.21
IUPAC Name8-tert-butyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
SMILESCC(C)N1CC2CCC(C1)N2C(C)(C)C
InChIInChI=1S/C13H26N2/c1-10(2)14-8-11-6-7-12(9-14)15(11)13(3,4)5/h10-12H,6-9H2,1-5H3
InChIKeyLRHYJBNMLISRIH-UHFFFAOYSA-N
XLogP2.34
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.37
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 8-tert-butyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane (CID 59568691) is 8-tert-butyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 8-tert-butyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 8-tert-butyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane is CC(C)N1CC2CCC(C1)N2C(C)(C)C.
What is the InChIKey of 8-tert-butyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is LRHYJBNMLISRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-10(2)14-8-11-6-7-12(9-14)15(11)13(3,4)5/h10-12H,6-9H2,1-5H3.
What are the key properties of 8-tert-butyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane?
8-tert-butyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 210.37 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 59568691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).