3-tert-butyl-8-propyl-3,8-diazabicyclo[3.2.1]octane

C13H26N2 — CID 58584513

IUPAC3-tert-butyl-8-propyl-3,8-diazabicyclo[3.2.1]octane
SMILESCCCN1C2CCC1CN(C(C)(C)C)C2
InChIInChI=1S/C13H26N2/c1-5-8-15-11-6-7-12(15)10-14(9-11)13(2,3)4/h11-12H,5-10H2,1-4H3
InChIKeyZZGGOSFXYJOGGZ-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.34
Rot. Bonds2

About 3-tert-butyl-8-propyl-3,8-diazabicyclo[3.2.1]octane

3-tert-butyl-8-propyl-3,8-diazabicyclo[3.2.1]octane (PubChem CID 58584513) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 3-tert-butyl-8-propyl-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-tert-butyl-8-propyl-3,8-diazabicyclo[3.2.1]octane
PubChem CID58584513
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name3-tert-butyl-8-propyl-3,8-diazabicyclo[3.2.1]octane
SMILESCCCN1C2CCC1CN(C(C)(C)C)C2
InChIInChI=1S/C13H26N2/c1-5-8-15-11-6-7-12(15)10-14(9-11)13(2,3)4/h11-12H,5-10H2,1-4H3
InChIKeyZZGGOSFXYJOGGZ-UHFFFAOYSA-N
XLogP2.34
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-8-propyl-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 3-tert-butyl-8-propyl-3,8-diazabicyclo[3.2.1]octane (CID 58584513) is 3-tert-butyl-8-propyl-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 3-tert-butyl-8-propyl-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 3-tert-butyl-8-propyl-3,8-diazabicyclo[3.2.1]octane is CCCN1C2CCC1CN(C(C)(C)C)C2.
What is the InChIKey of 3-tert-butyl-8-propyl-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is ZZGGOSFXYJOGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-5-8-15-11-6-7-12(15)10-14(9-11)13(2,3)4/h11-12H,5-10H2,1-4H3.
What are the key properties of 3-tert-butyl-8-propyl-3,8-diazabicyclo[3.2.1]octane?
3-tert-butyl-8-propyl-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 210.36 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-8-propyl-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 58584513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).