[(1R,2S,4R,5R)-5-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine

C9H18N2 — CID 101007268

IUPAC[(1R,2S,4R,5R)-5-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
SMILESNC[C@@H]1C[C@H]2C[C@@H]1C[C@@H]2CN
InChIInChI=1S/C9H18N2/c10-4-8-2-6-1-7(8)3-9(6)5-11/h6-9H,1-5,10-11H2/t6-,7-,8-,9+/m1/s1
InChIKeyKEUCYUPOICDBOG-BGZDPUMWSA-N
MW154.26 g/mol
LogP0.57
Rot. Bonds2

About [(1R,2S,4R,5R)-5-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine

[(1R,2S,4R,5R)-5-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine (PubChem CID 101007268) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is [(1R,2S,4R,5R)-5-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine.

Molecular Properties

Compound Name[(1R,2S,4R,5R)-5-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
PubChem CID101007268
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name[(1R,2S,4R,5R)-5-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
SMILESNC[C@@H]1C[C@H]2C[C@@H]1C[C@@H]2CN
InChIInChI=1S/C9H18N2/c10-4-8-2-6-1-7(8)3-9(6)5-11/h6-9H,1-5,10-11H2/t6-,7-,8-,9+/m1/s1
InChIKeyKEUCYUPOICDBOG-BGZDPUMWSA-N
XLogP0.57
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(1R,2S,4R,5R)-5-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]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,2S,4R,5R)-5-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine?
The IUPAC name of [(1R,2S,4R,5R)-5-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine (CID 101007268) is [(1R,2S,4R,5R)-5-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine.
What is the SMILES notation for [(1R,2S,4R,5R)-5-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine?
The canonical SMILES for [(1R,2S,4R,5R)-5-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine is NC[C@@H]1C[C@H]2C[C@@H]1C[C@@H]2CN.
What is the InChIKey of [(1R,2S,4R,5R)-5-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine?
The InChIKey is KEUCYUPOICDBOG-BGZDPUMWSA-N. The full InChI is InChI=1S/C9H18N2/c10-4-8-2-6-1-7(8)3-9(6)5-11/h6-9H,1-5,10-11H2/t6-,7-,8-,9+/m1/s1.
What are the key properties of [(1R,2S,4R,5R)-5-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine?
[(1R,2S,4R,5R)-5-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine has a molecular weight of 154.26 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,4R,5R)-5-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine is sourced from PubChem (CID 101007268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).