(1S,4S)-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;dihydrochloride

C8H18Cl2N2 — CID 67389593

IUPAC(1S,4S)-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;dihydrochloride
SMILESCC(C)N1C[C@@H]2C[C@H]1CN2.Cl.Cl
InChIInChI=1S/C8H16N2.2ClH/c1-6(2)10-5-7-3-8(10)4-9-7;;/h6-9H,3-5H2,1-2H3;2*1H/t7-,8-;;/m0../s1
InChIKeyCRJMUPUESUOYEQ-FOMWZSOGSA-N
MW213.15 g/mol
LogP1.28
Rot. Bonds1

About (1S,4S)-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;dihydrochloride

(1S,4S)-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;dihydrochloride (PubChem CID 67389593) has the molecular formula C8H18Cl2N2 and a molecular weight of 213.15 g/mol. Its IUPAC name is (1S,4S)-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;dihydrochloride.

Molecular Properties

Compound Name(1S,4S)-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;dihydrochloride
PubChem CID67389593
Molecular FormulaC8H18Cl2N2
Molecular Weight213.15 g/mol
Exact Mass212.08
IUPAC Name(1S,4S)-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;dihydrochloride
SMILESCC(C)N1C[C@@H]2C[C@H]1CN2.Cl.Cl
InChIInChI=1S/C8H16N2.2ClH/c1-6(2)10-5-7-3-8(10)4-9-7;;/h6-9H,3-5H2,1-2H3;2*1H/t7-,8-;;/m0../s1
InChIKeyCRJMUPUESUOYEQ-FOMWZSOGSA-N
XLogP1.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.15
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,4S)-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;dihydrochloride?
The IUPAC name of (1S,4S)-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;dihydrochloride (CID 67389593) is (1S,4S)-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;dihydrochloride.
What is the SMILES notation for (1S,4S)-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;dihydrochloride?
The canonical SMILES for (1S,4S)-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;dihydrochloride is CC(C)N1C[C@@H]2C[C@H]1CN2.Cl.Cl.
What is the InChIKey of (1S,4S)-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;dihydrochloride?
The InChIKey is CRJMUPUESUOYEQ-FOMWZSOGSA-N. The full InChI is InChI=1S/C8H16N2.2ClH/c1-6(2)10-5-7-3-8(10)4-9-7;;/h6-9H,3-5H2,1-2H3;2*1H/t7-,8-;;/m0../s1.
What are the key properties of (1S,4S)-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;dihydrochloride?
(1S,4S)-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;dihydrochloride has a molecular weight of 213.15 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;dihydrochloride is sourced from PubChem (CID 67389593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).