7-azabicyclo[2.2.1]heptan-2-amine

C6H12N2 — CID 18534976

IUPAC7-azabicyclo[2.2.1]heptan-2-amine
SMILESNC1CC2CCC1N2
InChIInChI=1S/C6H12N2/c7-5-3-4-1-2-6(5)8-4/h4-6,8H,1-3,7H2
InChIKeyWCHKDACUFTZUMH-UHFFFAOYSA-N
MW112.18 g/mol
LogP-0.16
Rot. Bonds

About 7-azabicyclo[2.2.1]heptan-2-amine

7-azabicyclo[2.2.1]heptan-2-amine (PubChem CID 18534976) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 7-azabicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name7-azabicyclo[2.2.1]heptan-2-amine
PubChem CID18534976
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name7-azabicyclo[2.2.1]heptan-2-amine
SMILESNC1CC2CCC1N2
InChIInChI=1S/C6H12N2/c7-5-3-4-1-2-6(5)8-4/h4-6,8H,1-3,7H2
InChIKeyWCHKDACUFTZUMH-UHFFFAOYSA-N
XLogP-0.16
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-azabicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 7-azabicyclo[2.2.1]heptan-2-amine (CID 18534976) is 7-azabicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 7-azabicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 7-azabicyclo[2.2.1]heptan-2-amine is NC1CC2CCC1N2.
What is the InChIKey of 7-azabicyclo[2.2.1]heptan-2-amine?
The InChIKey is WCHKDACUFTZUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c7-5-3-4-1-2-6(5)8-4/h4-6,8H,1-3,7H2.
What are the key properties of 7-azabicyclo[2.2.1]heptan-2-amine?
7-azabicyclo[2.2.1]heptan-2-amine has a molecular weight of 112.18 g/mol, XLogP of -0.16, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-azabicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 18534976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).