[(1R,2R,4S)-7-methyl-7-azabicyclo[2.2.1]heptan-2-yl]methanamine

C8H16N2 — CID 55289002

IUPAC[(1R,2R,4S)-7-methyl-7-azabicyclo[2.2.1]heptan-2-yl]methanamine
SMILESCN1[C@H]2CC[C@@H]1[C@@H](CN)C2
InChIInChI=1S/C8H16N2/c1-10-7-2-3-8(10)6(4-7)5-9/h6-8H,2-5,9H2,1H3/t6-,7+,8-/m1/s1
InChIKeyHSXGDXMSSVOIKV-GJMOJQLCSA-N
MW140.23 g/mol
LogP0.43
Rot. Bonds1

About [(1R,2R,4S)-7-methyl-7-azabicyclo[2.2.1]heptan-2-yl]methanamine

[(1R,2R,4S)-7-methyl-7-azabicyclo[2.2.1]heptan-2-yl]methanamine (PubChem CID 55289002) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is [(1R,2R,4S)-7-methyl-7-azabicyclo[2.2.1]heptan-2-yl]methanamine.

Molecular Properties

Compound Name[(1R,2R,4S)-7-methyl-7-azabicyclo[2.2.1]heptan-2-yl]methanamine
PubChem CID55289002
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name[(1R,2R,4S)-7-methyl-7-azabicyclo[2.2.1]heptan-2-yl]methanamine
SMILESCN1[C@H]2CC[C@@H]1[C@@H](CN)C2
InChIInChI=1S/C8H16N2/c1-10-7-2-3-8(10)6(4-7)5-9/h6-8H,2-5,9H2,1H3/t6-,7+,8-/m1/s1
InChIKeyHSXGDXMSSVOIKV-GJMOJQLCSA-N
XLogP0.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(1R,2R,4S)-7-methyl-7-azabicyclo[2.2.1]heptan-2-yl]methanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,4S)-7-methyl-7-azabicyclo[2.2.1]heptan-2-yl]methanamine?
The IUPAC name of [(1R,2R,4S)-7-methyl-7-azabicyclo[2.2.1]heptan-2-yl]methanamine (CID 55289002) is [(1R,2R,4S)-7-methyl-7-azabicyclo[2.2.1]heptan-2-yl]methanamine.
What is the SMILES notation for [(1R,2R,4S)-7-methyl-7-azabicyclo[2.2.1]heptan-2-yl]methanamine?
The canonical SMILES for [(1R,2R,4S)-7-methyl-7-azabicyclo[2.2.1]heptan-2-yl]methanamine is CN1[C@H]2CC[C@@H]1[C@@H](CN)C2.
What is the InChIKey of [(1R,2R,4S)-7-methyl-7-azabicyclo[2.2.1]heptan-2-yl]methanamine?
The InChIKey is HSXGDXMSSVOIKV-GJMOJQLCSA-N. The full InChI is InChI=1S/C8H16N2/c1-10-7-2-3-8(10)6(4-7)5-9/h6-8H,2-5,9H2,1H3/t6-,7+,8-/m1/s1.
What are the key properties of [(1R,2R,4S)-7-methyl-7-azabicyclo[2.2.1]heptan-2-yl]methanamine?
[(1R,2R,4S)-7-methyl-7-azabicyclo[2.2.1]heptan-2-yl]methanamine has a molecular weight of 140.23 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,4S)-7-methyl-7-azabicyclo[2.2.1]heptan-2-yl]methanamine is sourced from PubChem (CID 55289002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).