tricyclo[2.2.1.02,6]heptan-1-amine

C7H11N — CID 55289924

IUPACtricyclo[2.2.1.02,6]heptan-1-amine
SMILESNC12CC3CC1C2C3
InChIInChI=1S/C7H11N/c8-7-3-4-1-5(7)6(7)2-4/h4-6H,1-3,8H2
InChIKeyJNOGBMZKHFAAPC-UHFFFAOYSA-N
MW109.17 g/mol
LogP0.74
Rot. Bonds

About tricyclo[2.2.1.02,6]heptan-1-amine

tricyclo[2.2.1.02,6]heptan-1-amine (PubChem CID 55289924) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is tricyclo[2.2.1.02,6]heptan-1-amine.

Molecular Properties

Compound Nametricyclo[2.2.1.02,6]heptan-1-amine
PubChem CID55289924
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Nametricyclo[2.2.1.02,6]heptan-1-amine
SMILESNC12CC3CC1C2C3
InChIInChI=1S/C7H11N/c8-7-3-4-1-5(7)6(7)2-4/h4-6H,1-3,8H2
InChIKeyJNOGBMZKHFAAPC-UHFFFAOYSA-N
XLogP0.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of tricyclo[2.2.1.02,6]heptan-1-amine?
The IUPAC name of tricyclo[2.2.1.02,6]heptan-1-amine (CID 55289924) is tricyclo[2.2.1.02,6]heptan-1-amine.
What is the SMILES notation for tricyclo[2.2.1.02,6]heptan-1-amine?
The canonical SMILES for tricyclo[2.2.1.02,6]heptan-1-amine is NC12CC3CC1C2C3.
What is the InChIKey of tricyclo[2.2.1.02,6]heptan-1-amine?
The InChIKey is JNOGBMZKHFAAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c8-7-3-4-1-5(7)6(7)2-4/h4-6H,1-3,8H2.
What are the key properties of tricyclo[2.2.1.02,6]heptan-1-amine?
tricyclo[2.2.1.02,6]heptan-1-amine has a molecular weight of 109.17 g/mol, XLogP of 0.74, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[2.2.1.02,6]heptan-1-amine is sourced from PubChem (CID 55289924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).