(4R,5R)-2-azabicyclo[2.2.1]heptan-5-amine

C6H12N2 — CID 121336326

IUPAC(4R,5R)-2-azabicyclo[2.2.1]heptan-5-amine
SMILESN[C@@H]1CC2C[C@@H]1CN2
InChIInChI=1S/C6H12N2/c7-6-2-5-1-4(6)3-8-5/h4-6,8H,1-3,7H2/t4-,5?,6-/m1/s1
InChIKeyIAXKDYYTMWUUIA-SPWIIUKKSA-N
MW112.18 g/mol
LogP-0.30
Rot. Bonds

About (4R,5R)-2-azabicyclo[2.2.1]heptan-5-amine

(4R,5R)-2-azabicyclo[2.2.1]heptan-5-amine (PubChem CID 121336326) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is (4R,5R)-2-azabicyclo[2.2.1]heptan-5-amine.

Molecular Properties

Compound Name(4R,5R)-2-azabicyclo[2.2.1]heptan-5-amine
PubChem CID121336326
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name(4R,5R)-2-azabicyclo[2.2.1]heptan-5-amine
SMILESN[C@@H]1CC2C[C@@H]1CN2
InChIInChI=1S/C6H12N2/c7-6-2-5-1-4(6)3-8-5/h4-6,8H,1-3,7H2/t4-,5?,6-/m1/s1
InChIKeyIAXKDYYTMWUUIA-SPWIIUKKSA-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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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-2-azabicyclo[2.2.1]heptan-5-amine?
The IUPAC name of (4R,5R)-2-azabicyclo[2.2.1]heptan-5-amine (CID 121336326) is (4R,5R)-2-azabicyclo[2.2.1]heptan-5-amine.
What is the SMILES notation for (4R,5R)-2-azabicyclo[2.2.1]heptan-5-amine?
The canonical SMILES for (4R,5R)-2-azabicyclo[2.2.1]heptan-5-amine is N[C@@H]1CC2C[C@@H]1CN2.
What is the InChIKey of (4R,5R)-2-azabicyclo[2.2.1]heptan-5-amine?
The InChIKey is IAXKDYYTMWUUIA-SPWIIUKKSA-N. The full InChI is InChI=1S/C6H12N2/c7-6-2-5-1-4(6)3-8-5/h4-6,8H,1-3,7H2/t4-,5?,6-/m1/s1.
What are the key properties of (4R,5R)-2-azabicyclo[2.2.1]heptan-5-amine?
(4R,5R)-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 (4R,5R)-2-azabicyclo[2.2.1]heptan-5-amine is sourced from PubChem (CID 121336326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).