3-azabicyclo[4.1.0]heptan-1-amine;dihydrochloride

C6H14Cl2N2 — CID 90114299

IUPAC3-azabicyclo[4.1.0]heptan-1-amine;dihydrochloride
SMILESCl.Cl.NC12CNCCC1C2
InChIInChI=1S/C6H12N2.2ClH/c7-6-3-5(6)1-2-8-4-6;;/h5,8H,1-4,7H2;2*1H
InChIKeyAVYSTUUSTBYGPE-UHFFFAOYSA-N
MW185.10 g/mol
LogP0.54
Rot. Bonds

About 3-azabicyclo[4.1.0]heptan-1-amine;dihydrochloride

3-azabicyclo[4.1.0]heptan-1-amine;dihydrochloride (PubChem CID 90114299) has the molecular formula C6H14Cl2N2 and a molecular weight of 185.10 g/mol. Its IUPAC name is 3-azabicyclo[4.1.0]heptan-1-amine;dihydrochloride.

Molecular Properties

Compound Name3-azabicyclo[4.1.0]heptan-1-amine;dihydrochloride
PubChem CID90114299
Molecular FormulaC6H14Cl2N2
Molecular Weight185.10 g/mol
Exact Mass184.05
IUPAC Name3-azabicyclo[4.1.0]heptan-1-amine;dihydrochloride
SMILESCl.Cl.NC12CNCCC1C2
InChIInChI=1S/C6H12N2.2ClH/c7-6-3-5(6)1-2-8-4-6;;/h5,8H,1-4,7H2;2*1H
InChIKeyAVYSTUUSTBYGPE-UHFFFAOYSA-N
XLogP0.54
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.10
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-azabicyclo[4.1.0]heptan-1-amine;dihydrochloride?
The IUPAC name of 3-azabicyclo[4.1.0]heptan-1-amine;dihydrochloride (CID 90114299) is 3-azabicyclo[4.1.0]heptan-1-amine;dihydrochloride.
What is the SMILES notation for 3-azabicyclo[4.1.0]heptan-1-amine;dihydrochloride?
The canonical SMILES for 3-azabicyclo[4.1.0]heptan-1-amine;dihydrochloride is Cl.Cl.NC12CNCCC1C2.
What is the InChIKey of 3-azabicyclo[4.1.0]heptan-1-amine;dihydrochloride?
The InChIKey is AVYSTUUSTBYGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2.2ClH/c7-6-3-5(6)1-2-8-4-6;;/h5,8H,1-4,7H2;2*1H.
What are the key properties of 3-azabicyclo[4.1.0]heptan-1-amine;dihydrochloride?
3-azabicyclo[4.1.0]heptan-1-amine;dihydrochloride has a molecular weight of 185.10 g/mol, XLogP of 0.54, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azabicyclo[4.1.0]heptan-1-amine;dihydrochloride is sourced from PubChem (CID 90114299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).