1-benzyl-2-azabicyclo[2.2.1]heptan-7-amine

C13H18N2 — CID 68945674

IUPAC1-benzyl-2-azabicyclo[2.2.1]heptan-7-amine
SMILESNC1C2CCC1(Cc1ccccc1)NC2
InChIInChI=1S/C13H18N2/c14-12-11-6-7-13(12,15-9-11)8-10-4-2-1-3-5-10/h1-5,11-12,15H,6-9,14H2
InChIKeyNKMAKSOMIGDTSX-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.31
Rot. Bonds2

About 1-benzyl-2-azabicyclo[2.2.1]heptan-7-amine

1-benzyl-2-azabicyclo[2.2.1]heptan-7-amine (PubChem CID 68945674) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-benzyl-2-azabicyclo[2.2.1]heptan-7-amine.

Molecular Properties

Compound Name1-benzyl-2-azabicyclo[2.2.1]heptan-7-amine
PubChem CID68945674
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name1-benzyl-2-azabicyclo[2.2.1]heptan-7-amine
SMILESNC1C2CCC1(Cc1ccccc1)NC2
InChIInChI=1S/C13H18N2/c14-12-11-6-7-13(12,15-9-11)8-10-4-2-1-3-5-10/h1-5,11-12,15H,6-9,14H2
InChIKeyNKMAKSOMIGDTSX-UHFFFAOYSA-N
XLogP1.31
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-azabicyclo[2.2.1]heptan-7-amine?
The IUPAC name of 1-benzyl-2-azabicyclo[2.2.1]heptan-7-amine (CID 68945674) is 1-benzyl-2-azabicyclo[2.2.1]heptan-7-amine.
What is the SMILES notation for 1-benzyl-2-azabicyclo[2.2.1]heptan-7-amine?
The canonical SMILES for 1-benzyl-2-azabicyclo[2.2.1]heptan-7-amine is NC1C2CCC1(Cc1ccccc1)NC2.
What is the InChIKey of 1-benzyl-2-azabicyclo[2.2.1]heptan-7-amine?
The InChIKey is NKMAKSOMIGDTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c14-12-11-6-7-13(12,15-9-11)8-10-4-2-1-3-5-10/h1-5,11-12,15H,6-9,14H2.
What are the key properties of 1-benzyl-2-azabicyclo[2.2.1]heptan-7-amine?
1-benzyl-2-azabicyclo[2.2.1]heptan-7-amine has a molecular weight of 202.30 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-azabicyclo[2.2.1]heptan-7-amine is sourced from PubChem (CID 68945674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).