7-methylbicyclo[2.2.1]hepta-1,3,5-trien-7-amine

C8H9N — CID 140688206

IUPAC7-methylbicyclo[2.2.1]hepta-1,3,5-trien-7-amine
SMILESCC1(N)C2=CC=C1C=C2
InChIInChI=1S/C8H9N/c1-8(9)6-2-3-7(8)5-4-6/h2-5H,9H2,1H3
InChIKeyWNNFZSDCVJWJIV-UHFFFAOYSA-N
MW119.17 g/mol
LogP1.14
Rot. Bonds

About 7-methylbicyclo[2.2.1]hepta-1,3,5-trien-7-amine

7-methylbicyclo[2.2.1]hepta-1,3,5-trien-7-amine (PubChem CID 140688206) has the molecular formula C8H9N and a molecular weight of 119.17 g/mol. Its IUPAC name is 7-methylbicyclo[2.2.1]hepta-1,3,5-trien-7-amine.

Molecular Properties

Compound Name7-methylbicyclo[2.2.1]hepta-1,3,5-trien-7-amine
PubChem CID140688206
Molecular FormulaC8H9N
Molecular Weight119.17 g/mol
Exact Mass119.07
IUPAC Name7-methylbicyclo[2.2.1]hepta-1,3,5-trien-7-amine
SMILESCC1(N)C2=CC=C1C=C2
InChIInChI=1S/C8H9N/c1-8(9)6-2-3-7(8)5-4-6/h2-5H,9H2,1H3
InChIKeyWNNFZSDCVJWJIV-UHFFFAOYSA-N
XLogP1.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.17
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-methylbicyclo[2.2.1]hepta-1,3,5-trien-7-amine?
The IUPAC name of 7-methylbicyclo[2.2.1]hepta-1,3,5-trien-7-amine (CID 140688206) is 7-methylbicyclo[2.2.1]hepta-1,3,5-trien-7-amine.
What is the SMILES notation for 7-methylbicyclo[2.2.1]hepta-1,3,5-trien-7-amine?
The canonical SMILES for 7-methylbicyclo[2.2.1]hepta-1,3,5-trien-7-amine is CC1(N)C2=CC=C1C=C2.
What is the InChIKey of 7-methylbicyclo[2.2.1]hepta-1,3,5-trien-7-amine?
The InChIKey is WNNFZSDCVJWJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N/c1-8(9)6-2-3-7(8)5-4-6/h2-5H,9H2,1H3.
What are the key properties of 7-methylbicyclo[2.2.1]hepta-1,3,5-trien-7-amine?
7-methylbicyclo[2.2.1]hepta-1,3,5-trien-7-amine has a molecular weight of 119.17 g/mol, XLogP of 1.14, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylbicyclo[2.2.1]hepta-1,3,5-trien-7-amine is sourced from PubChem (CID 140688206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).