(1R,5S)-3,6-dimethyl-3,6-diazabicyclo[3.2.1]octane

C8H16N2 — CID 89243560

IUPAC(1R,5S)-3,6-dimethyl-3,6-diazabicyclo[3.2.1]octane
SMILESCN1C[C@H]2C[C@@H](C1)N(C)C2
InChIInChI=1S/C8H16N2/c1-9-4-7-3-8(6-9)10(2)5-7/h7-8H,3-6H2,1-2H3/t7-,8+/m1/s1
InChIKeyBGIYBNGBNMVSQH-SFYZADRCSA-N
MW140.23 g/mol
LogP0.25
Rot. Bonds

About (1R,5S)-3,6-dimethyl-3,6-diazabicyclo[3.2.1]octane

(1R,5S)-3,6-dimethyl-3,6-diazabicyclo[3.2.1]octane (PubChem CID 89243560) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (1R,5S)-3,6-dimethyl-3,6-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,5S)-3,6-dimethyl-3,6-diazabicyclo[3.2.1]octane
PubChem CID89243560
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(1R,5S)-3,6-dimethyl-3,6-diazabicyclo[3.2.1]octane
SMILESCN1C[C@H]2C[C@@H](C1)N(C)C2
InChIInChI=1S/C8H16N2/c1-9-4-7-3-8(6-9)10(2)5-7/h7-8H,3-6H2,1-2H3/t7-,8+/m1/s1
InChIKeyBGIYBNGBNMVSQH-SFYZADRCSA-N
XLogP0.25
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3,6-dimethyl-3,6-diazabicyclo[3.2.1]octane?
The IUPAC name of (1R,5S)-3,6-dimethyl-3,6-diazabicyclo[3.2.1]octane (CID 89243560) is (1R,5S)-3,6-dimethyl-3,6-diazabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,5S)-3,6-dimethyl-3,6-diazabicyclo[3.2.1]octane?
The canonical SMILES for (1R,5S)-3,6-dimethyl-3,6-diazabicyclo[3.2.1]octane is CN1C[C@H]2C[C@@H](C1)N(C)C2.
What is the InChIKey of (1R,5S)-3,6-dimethyl-3,6-diazabicyclo[3.2.1]octane?
The InChIKey is BGIYBNGBNMVSQH-SFYZADRCSA-N. The full InChI is InChI=1S/C8H16N2/c1-9-4-7-3-8(6-9)10(2)5-7/h7-8H,3-6H2,1-2H3/t7-,8+/m1/s1.
What are the key properties of (1R,5S)-3,6-dimethyl-3,6-diazabicyclo[3.2.1]octane?
(1R,5S)-3,6-dimethyl-3,6-diazabicyclo[3.2.1]octane has a molecular weight of 140.23 g/mol, XLogP of 0.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3,6-dimethyl-3,6-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 89243560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).