(5R)-1,4-diazabicyclo[3.2.1]octane;dihydrochloride

C6H14Cl2N2 — CID 69437530

IUPAC(5R)-1,4-diazabicyclo[3.2.1]octane;dihydrochloride
SMILESC1CN2CC[C@H](C2)N1.Cl.Cl
InChIInChI=1S/C6H12N2.2ClH/c1-3-8-4-2-7-6(1)5-8;;/h6-7H,1-5H2;2*1H/t6-;;/m1../s1
InChIKeyCTBNEKSAJTWOFM-QYCVXMPOSA-N
MW185.10 g/mol
LogP0.51
Rot. Bonds

About (5R)-1,4-diazabicyclo[3.2.1]octane;dihydrochloride

(5R)-1,4-diazabicyclo[3.2.1]octane;dihydrochloride (PubChem CID 69437530) has the molecular formula C6H14Cl2N2 and a molecular weight of 185.10 g/mol. Its IUPAC name is (5R)-1,4-diazabicyclo[3.2.1]octane;dihydrochloride.

Molecular Properties

Compound Name(5R)-1,4-diazabicyclo[3.2.1]octane;dihydrochloride
PubChem CID69437530
Molecular FormulaC6H14Cl2N2
Molecular Weight185.10 g/mol
Exact Mass184.05
IUPAC Name(5R)-1,4-diazabicyclo[3.2.1]octane;dihydrochloride
SMILESC1CN2CC[C@H](C2)N1.Cl.Cl
InChIInChI=1S/C6H12N2.2ClH/c1-3-8-4-2-7-6(1)5-8;;/h6-7H,1-5H2;2*1H/t6-;;/m1../s1
InChIKeyCTBNEKSAJTWOFM-QYCVXMPOSA-N
XLogP0.51
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 ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-1,4-diazabicyclo[3.2.1]octane;dihydrochloride?
The IUPAC name of (5R)-1,4-diazabicyclo[3.2.1]octane;dihydrochloride (CID 69437530) is (5R)-1,4-diazabicyclo[3.2.1]octane;dihydrochloride.
What is the SMILES notation for (5R)-1,4-diazabicyclo[3.2.1]octane;dihydrochloride?
The canonical SMILES for (5R)-1,4-diazabicyclo[3.2.1]octane;dihydrochloride is C1CN2CC[C@H](C2)N1.Cl.Cl.
What is the InChIKey of (5R)-1,4-diazabicyclo[3.2.1]octane;dihydrochloride?
The InChIKey is CTBNEKSAJTWOFM-QYCVXMPOSA-N. The full InChI is InChI=1S/C6H12N2.2ClH/c1-3-8-4-2-7-6(1)5-8;;/h6-7H,1-5H2;2*1H/t6-;;/m1../s1.
What are the key properties of (5R)-1,4-diazabicyclo[3.2.1]octane;dihydrochloride?
(5R)-1,4-diazabicyclo[3.2.1]octane;dihydrochloride has a molecular weight of 185.10 g/mol, XLogP of 0.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1,4-diazabicyclo[3.2.1]octane;dihydrochloride is sourced from PubChem (CID 69437530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).