1-bicyclo[2.2.1]hepta-2,5-dienylmethanamine

C8H11N — CID 118418084

IUPAC1-bicyclo[2.2.1]hepta-2,5-dienylmethanamine
SMILESNCC12C=CC(C=C1)C2
InChIInChI=1S/C8H11N/c9-6-8-3-1-7(5-8)2-4-8/h1-4,7H,5-6,9H2
InChIKeySBMLQMHDXFHXLE-UHFFFAOYSA-N
MW121.18 g/mol
LogP1.08
Rot. Bonds1

About 1-bicyclo[2.2.1]hepta-2,5-dienylmethanamine

1-bicyclo[2.2.1]hepta-2,5-dienylmethanamine (PubChem CID 118418084) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 1-bicyclo[2.2.1]hepta-2,5-dienylmethanamine.

Molecular Properties

Compound Name1-bicyclo[2.2.1]hepta-2,5-dienylmethanamine
PubChem CID118418084
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name1-bicyclo[2.2.1]hepta-2,5-dienylmethanamine
SMILESNCC12C=CC(C=C1)C2
InChIInChI=1S/C8H11N/c9-6-8-3-1-7(5-8)2-4-8/h1-4,7H,5-6,9H2
InChIKeySBMLQMHDXFHXLE-UHFFFAOYSA-N
XLogP1.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-bicyclo[2.2.1]hepta-2,5-dienylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Aminoethylnorbornene
CID 23186386
Aminomethylnorbornene
CID 66605983
(Cyclopent-2-en-1-yl)methanamine
CID 13040869
(1-Methylcyclohex-3-en-1-yl)methanamine
CID 83694188
1-(1-Methylcyclohex-2-en-1-yl)methanamine
CID 132371597
(E)-2,2-dimethylhept-5-en-1-amine
CID 55289620
2,2-Dimethylhept-5-en-1-amine
CID 76224431
2-Bicyclo[2.2.1]hepta-2,5-dienylmethanamine
CID 12316786
1-Bicyclo[2.2.1]hept-2-enylmethanediamine
CID 68740290
[(1R)-cyclopent-2-en-1-yl]methanamine
CID 93517524
1-Bicyclo[2.2.1]hepta-2,4-dienylmethanamine
CID 118418085
(Z)-2-methyl-2-(2-methylpropyl)hex-3-en-1-amine
CID 146322728

Frequently Asked Questions

What is the IUPAC name of 1-bicyclo[2.2.1]hepta-2,5-dienylmethanamine?
The IUPAC name of 1-bicyclo[2.2.1]hepta-2,5-dienylmethanamine (CID 118418084) is 1-bicyclo[2.2.1]hepta-2,5-dienylmethanamine.
What is the SMILES notation for 1-bicyclo[2.2.1]hepta-2,5-dienylmethanamine?
The canonical SMILES for 1-bicyclo[2.2.1]hepta-2,5-dienylmethanamine is NCC12C=CC(C=C1)C2.
What is the InChIKey of 1-bicyclo[2.2.1]hepta-2,5-dienylmethanamine?
The InChIKey is SBMLQMHDXFHXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c9-6-8-3-1-7(5-8)2-4-8/h1-4,7H,5-6,9H2.
What are the key properties of 1-bicyclo[2.2.1]hepta-2,5-dienylmethanamine?
1-bicyclo[2.2.1]hepta-2,5-dienylmethanamine has a molecular weight of 121.18 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bicyclo[2.2.1]hepta-2,5-dienylmethanamine is sourced from PubChem (CID 118418084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).