1-azabicyclo[2.2.1]heptan-3-amine

C6H12N2 — CID 22049662

IUPAC1-azabicyclo[2.2.1]heptan-3-amine
SMILESNC1CN2CCC1C2
InChIInChI=1S/C6H12N2/c7-6-4-8-2-1-5(6)3-8/h5-6H,1-4,7H2
InChIKeyLZEPFDKCZQKGBT-UHFFFAOYSA-N
MW112.18 g/mol
LogP-0.35
Rot. Bonds

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

1-azabicyclo[2.2.1]heptan-3-amine (PubChem CID 22049662) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 1-azabicyclo[2.2.1]heptan-3-amine.

Molecular Properties

Compound Name1-azabicyclo[2.2.1]heptan-3-amine
PubChem CID22049662
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name1-azabicyclo[2.2.1]heptan-3-amine
SMILESNC1CN2CCC1C2
InChIInChI=1S/C6H12N2/c7-6-4-8-2-1-5(6)3-8/h5-6H,1-4,7H2
InChIKeyLZEPFDKCZQKGBT-UHFFFAOYSA-N
XLogP-0.35
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 5-0.35
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?
The IUPAC name of 1-azabicyclo[2.2.1]heptan-3-amine (CID 22049662) is 1-azabicyclo[2.2.1]heptan-3-amine.
What is the SMILES notation for 1-azabicyclo[2.2.1]heptan-3-amine?
The canonical SMILES for 1-azabicyclo[2.2.1]heptan-3-amine is NC1CN2CCC1C2.
What is the InChIKey of 1-azabicyclo[2.2.1]heptan-3-amine?
The InChIKey is LZEPFDKCZQKGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c7-6-4-8-2-1-5(6)3-8/h5-6H,1-4,7H2.
What are the key properties of 1-azabicyclo[2.2.1]heptan-3-amine?
1-azabicyclo[2.2.1]heptan-3-amine has a molecular weight of 112.18 g/mol, XLogP of -0.35, 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 is sourced from PubChem (CID 22049662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).