5-methylcyclohepta-1,3,4,6-tetraen-1-amine

C8H9N — CID 89271754

IUPAC5-methylcyclohepta-1,3,4,6-tetraen-1-amine
SMILESCC1=C=CC=C(N)C=C1
InChIInChI=1S/C8H9N/c1-7-3-2-4-8(9)6-5-7/h2,4-6H,9H2,1H3
InChIKeyGZXCAUPVYYIEKJ-UHFFFAOYSA-N
MW119.17 g/mol
LogP1.50
Rot. Bonds

About 5-methylcyclohepta-1,3,4,6-tetraen-1-amine

5-methylcyclohepta-1,3,4,6-tetraen-1-amine (PubChem CID 89271754) has the molecular formula C8H9N and a molecular weight of 119.17 g/mol. Its IUPAC name is 5-methylcyclohepta-1,3,4,6-tetraen-1-amine.

Molecular Properties

Compound Name5-methylcyclohepta-1,3,4,6-tetraen-1-amine
PubChem CID89271754
Molecular FormulaC8H9N
Molecular Weight119.17 g/mol
Exact Mass119.07
IUPAC Name5-methylcyclohepta-1,3,4,6-tetraen-1-amine
SMILESCC1=C=CC=C(N)C=C1
InChIInChI=1S/C8H9N/c1-7-3-2-4-8(9)6-5-7/h2,4-6H,9H2,1H3
InChIKeyGZXCAUPVYYIEKJ-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methylcyclohepta-1,3,4,6-tetraen-1-amine?
The IUPAC name of 5-methylcyclohepta-1,3,4,6-tetraen-1-amine (CID 89271754) is 5-methylcyclohepta-1,3,4,6-tetraen-1-amine.
What is the SMILES notation for 5-methylcyclohepta-1,3,4,6-tetraen-1-amine?
The canonical SMILES for 5-methylcyclohepta-1,3,4,6-tetraen-1-amine is CC1=C=CC=C(N)C=C1.
What is the InChIKey of 5-methylcyclohepta-1,3,4,6-tetraen-1-amine?
The InChIKey is GZXCAUPVYYIEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N/c1-7-3-2-4-8(9)6-5-7/h2,4-6H,9H2,1H3.
What are the key properties of 5-methylcyclohepta-1,3,4,6-tetraen-1-amine?
5-methylcyclohepta-1,3,4,6-tetraen-1-amine has a molecular weight of 119.17 g/mol, XLogP of 1.50, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylcyclohepta-1,3,4,6-tetraen-1-amine is sourced from PubChem (CID 89271754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).