1-azabicyclo[2.2.1]heptan-3-amine;hydrochloride

C6H13ClN2 — CID 105429240

IUPAC1-azabicyclo[2.2.1]heptan-3-amine;hydrochloride
SMILESCl.NC1CN2CCC1C2
InChIInChI=1S/C6H12N2.ClH/c7-6-4-8-2-1-5(6)3-8;/h5-6H,1-4,7H2;1H
InChIKeyVRFMYZNVWQYHJW-UHFFFAOYSA-N
MW148.64 g/mol
LogP0.07
Rot. Bonds

About 1-azabicyclo[2.2.1]heptan-3-amine;hydrochloride

1-azabicyclo[2.2.1]heptan-3-amine;hydrochloride (PubChem CID 105429240) has the molecular formula C6H13ClN2 and a molecular weight of 148.64 g/mol. Its IUPAC name is 1-azabicyclo[2.2.1]heptan-3-amine;hydrochloride.

Molecular Properties

Compound Name1-azabicyclo[2.2.1]heptan-3-amine;hydrochloride
PubChem CID105429240
Molecular FormulaC6H13ClN2
Molecular Weight148.64 g/mol
Exact Mass148.08
IUPAC Name1-azabicyclo[2.2.1]heptan-3-amine;hydrochloride
SMILESCl.NC1CN2CCC1C2
InChIInChI=1S/C6H12N2.ClH/c7-6-4-8-2-1-5(6)3-8;/h5-6H,1-4,7H2;1H
InChIKeyVRFMYZNVWQYHJW-UHFFFAOYSA-N
XLogP0.07
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.64
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[2.2.1]heptan-3-amine;hydrochloride?
The IUPAC name of 1-azabicyclo[2.2.1]heptan-3-amine;hydrochloride (CID 105429240) is 1-azabicyclo[2.2.1]heptan-3-amine;hydrochloride.
What is the SMILES notation for 1-azabicyclo[2.2.1]heptan-3-amine;hydrochloride?
The canonical SMILES for 1-azabicyclo[2.2.1]heptan-3-amine;hydrochloride is Cl.NC1CN2CCC1C2.
What is the InChIKey of 1-azabicyclo[2.2.1]heptan-3-amine;hydrochloride?
The InChIKey is VRFMYZNVWQYHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2.ClH/c7-6-4-8-2-1-5(6)3-8;/h5-6H,1-4,7H2;1H.
What are the key properties of 1-azabicyclo[2.2.1]heptan-3-amine;hydrochloride?
1-azabicyclo[2.2.1]heptan-3-amine;hydrochloride has a molecular weight of 148.64 g/mol, XLogP of 0.07, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[2.2.1]heptan-3-amine;hydrochloride is sourced from PubChem (CID 105429240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).