3-cyclopropyl-3,8-diazabicyclo[3.2.1]octane

C9H16N2 — CID 166046474

IUPAC3-cyclopropyl-3,8-diazabicyclo[3.2.1]octane
SMILESC1CC2CN(C3CC3)CC1N2
InChIInChI=1S/C9H16N2/c1-2-8-6-11(9-3-4-9)5-7(1)10-8/h7-10H,1-6H2
InChIKeyBVNVOGRVTSZPSZ-UHFFFAOYSA-N
MW152.24 g/mol
LogP0.58
Rot. Bonds1

About 3-cyclopropyl-3,8-diazabicyclo[3.2.1]octane

3-cyclopropyl-3,8-diazabicyclo[3.2.1]octane (PubChem CID 166046474) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 3-cyclopropyl-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-cyclopropyl-3,8-diazabicyclo[3.2.1]octane
PubChem CID166046474
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name3-cyclopropyl-3,8-diazabicyclo[3.2.1]octane
SMILESC1CC2CN(C3CC3)CC1N2
InChIInChI=1S/C9H16N2/c1-2-8-6-11(9-3-4-9)5-7(1)10-8/h7-10H,1-6H2
InChIKeyBVNVOGRVTSZPSZ-UHFFFAOYSA-N
XLogP0.58
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 3-cyclopropyl-3,8-diazabicyclo[3.2.1]octane (CID 166046474) is 3-cyclopropyl-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 3-cyclopropyl-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 3-cyclopropyl-3,8-diazabicyclo[3.2.1]octane is C1CC2CN(C3CC3)CC1N2.
What is the InChIKey of 3-cyclopropyl-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is BVNVOGRVTSZPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-2-8-6-11(9-3-4-9)5-7(1)10-8/h7-10H,1-6H2.
What are the key properties of 3-cyclopropyl-3,8-diazabicyclo[3.2.1]octane?
3-cyclopropyl-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 152.24 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 166046474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).