(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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S)-2-azabicyclo[2.2.2]octan-5-amine
CID 146429192
5-butyl-2-azabicyclo[2.2.1]heptane
CID 69403972
(1R,4R)-5-methyl-2-azabicyclo[2.2.1]heptane
CID 168890480
ethane;5-methyl-2-azabicyclo[2.2.1]heptane
CID 156793137
2-[(1R,4R,5S)-2-azabicyclo[2.2.1]heptan-5-yl]acetic acid;hydrochloride
CID 170912214
(1R,4S,5R)-2-azabicyclo[2.2.1]heptane-5-carbonitrile
CID 98092349
2-azabicyclo[2.2.1]heptane-6,7-diamine
CID 175778826
(1R,4S,5S)-2-azabicyclo[2.2.1]heptane-5-carboxylic acid;hydrochloride
CID 162422519
2-azabicyclo[2.2.1]heptane-5-carboxylic acid;hydrochloride
CID 153284274
2-azabicyclo[2.2.1]heptan-5-ylcarbamic acid
CID 77430826
(1R,2S,4R,5S)-bicyclo[2.2.1]heptane-2,5-diamine
CID 11423598
bicyclo[2.2.1]heptane-2,5-diamine
CID 4169642

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).