(1S,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptane;dihydrochloride

C6H14Cl2N2 — CID 135392599

IUPAC(1S,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptane;dihydrochloride
SMILESCN1C[C@@H]2CNC[C@@H]21.Cl.Cl
InChIInChI=1S/C6H12N2.2ClH/c1-8-4-5-2-7-3-6(5)8;;/h5-7H,2-4H2,1H3;2*1H/t5-,6-;;/m0../s1
InChIKeyHHOBOOOBCZEDKB-USPAICOZSA-N
MW185.10 g/mol
LogP0.36
Rot. Bonds

About (1S,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptane;dihydrochloride

(1S,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptane;dihydrochloride (PubChem CID 135392599) has the molecular formula C6H14Cl2N2 and a molecular weight of 185.10 g/mol. Its IUPAC name is (1S,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptane;dihydrochloride.

Molecular Properties

Compound Name(1S,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptane;dihydrochloride
PubChem CID135392599
Molecular FormulaC6H14Cl2N2
Molecular Weight185.10 g/mol
Exact Mass184.05
IUPAC Name(1S,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptane;dihydrochloride
SMILESCN1C[C@@H]2CNC[C@@H]21.Cl.Cl
InChIInChI=1S/C6H12N2.2ClH/c1-8-4-5-2-7-3-6(5)8;;/h5-7H,2-4H2,1H3;2*1H/t5-,6-;;/m0../s1
InChIKeyHHOBOOOBCZEDKB-USPAICOZSA-N
XLogP0.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.10
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptane;dihydrochloride?
The IUPAC name of (1S,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptane;dihydrochloride (CID 135392599) is (1S,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptane;dihydrochloride.
What is the SMILES notation for (1S,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptane;dihydrochloride?
The canonical SMILES for (1S,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptane;dihydrochloride is CN1C[C@@H]2CNC[C@@H]21.Cl.Cl.
What is the InChIKey of (1S,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptane;dihydrochloride?
The InChIKey is HHOBOOOBCZEDKB-USPAICOZSA-N. The full InChI is InChI=1S/C6H12N2.2ClH/c1-8-4-5-2-7-3-6(5)8;;/h5-7H,2-4H2,1H3;2*1H/t5-,6-;;/m0../s1.
What are the key properties of (1S,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptane;dihydrochloride?
(1S,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptane;dihydrochloride has a molecular weight of 185.10 g/mol, XLogP of 0.36, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptane;dihydrochloride is sourced from PubChem (CID 135392599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).