2-azabicyclo[2.2.1]heptan-5-amine

C6H12N2 — CID 19771533

IUPAC2-azabicyclo[2.2.1]heptan-5-amine
SMILESNC1CC2CC1CN2
InChIInChI=1S/C6H12N2/c7-6-2-5-1-4(6)3-8-5/h4-6,8H,1-3,7H2
InChIKeyIAXKDYYTMWUUIA-UHFFFAOYSA-N
MW112.18 g/mol
LogP-0.30
Rot. Bonds

About 2-azabicyclo[2.2.1]heptan-5-amine

2-azabicyclo[2.2.1]heptan-5-amine (PubChem CID 19771533) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 2-azabicyclo[2.2.1]heptan-5-amine.

Molecular Properties

Compound Name2-azabicyclo[2.2.1]heptan-5-amine
PubChem CID19771533
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name2-azabicyclo[2.2.1]heptan-5-amine
SMILESNC1CC2CC1CN2
InChIInChI=1S/C6H12N2/c7-6-2-5-1-4(6)3-8-5/h4-6,8H,1-3,7H2
InChIKeyIAXKDYYTMWUUIA-UHFFFAOYSA-N
XLogP-0.30
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 ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Azabicyclo(2.2.1)heptane
CID 78963
2-Azabicyclo[2.2.1]heptane hydrochloride
CID 20070801
(1S,4R)-2-azabicyclo[2.2.1]heptane hydrochloride
CID 13078200
2-Methyl-2-azabicyclo[2.2.1]heptan-5-amine
CID 20271678
(1R,4S)-2-azabicyclo(2.2.1)heptane hydrochloride
CID 122163564
(1R,3R,4S)-3-methyl-2-azabicyclo[2.2.1]heptane hydrochloride
CID 177800839
r-2-Azabicyclo[2.2.1]heptane
CID 69264533
(1S,4S,5S)-5-fluoro-2-azabicyclo[2.2.1]heptane
CID 55280747
5-Fluoro-2-azabicyclo[2.2.1]heptane
CID 71306277
(1R,4S)-2-azabicyclo[2.2.1]heptane
CID 11863587
Selanyl-2-azabicyclo[2.2.1]heptane
CID 171118294
r-2-Azabicyclo[2.2.1]heptan-2-ium chloride
CID 171919322

Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[2.2.1]heptan-5-amine?
The IUPAC name of 2-azabicyclo[2.2.1]heptan-5-amine (CID 19771533) is 2-azabicyclo[2.2.1]heptan-5-amine.
What is the SMILES notation for 2-azabicyclo[2.2.1]heptan-5-amine?
The canonical SMILES for 2-azabicyclo[2.2.1]heptan-5-amine is NC1CC2CC1CN2.
What is the InChIKey of 2-azabicyclo[2.2.1]heptan-5-amine?
The InChIKey is IAXKDYYTMWUUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c7-6-2-5-1-4(6)3-8-5/h4-6,8H,1-3,7H2.
What are the key properties of 2-azabicyclo[2.2.1]heptan-5-amine?
2-azabicyclo[2.2.1]heptan-5-amine has a molecular weight of 112.18 g/mol, XLogP of -0.30, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[2.2.1]heptan-5-amine is sourced from PubChem (CID 19771533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).