1-bicyclo[2.2.1]hepta-2,4-dienylmethanamine

C8H11N — CID 118418085

IUPAC1-bicyclo[2.2.1]hepta-2,4-dienylmethanamine
SMILESNCC12C=CC(=CC1)C2
InChIInChI=1S/C8H11N/c9-6-8-3-1-7(5-8)2-4-8/h1-3H,4-6,9H2
InChIKeyHXVYMTQRCCBSIA-UHFFFAOYSA-N
MW121.18 g/mol
LogP1.22
Rot. Bonds1

About 1-bicyclo[2.2.1]hepta-2,4-dienylmethanamine

1-bicyclo[2.2.1]hepta-2,4-dienylmethanamine (PubChem CID 118418085) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 1-bicyclo[2.2.1]hepta-2,4-dienylmethanamine.

Molecular Properties

Compound Name1-bicyclo[2.2.1]hepta-2,4-dienylmethanamine
PubChem CID118418085
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name1-bicyclo[2.2.1]hepta-2,4-dienylmethanamine
SMILESNCC12C=CC(=CC1)C2
InChIInChI=1S/C8H11N/c9-6-8-3-1-7(5-8)2-4-8/h1-3H,4-6,9H2
InChIKeyHXVYMTQRCCBSIA-UHFFFAOYSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bicyclo[2.2.1]hepta-2,4-dienylmethanamine?
The IUPAC name of 1-bicyclo[2.2.1]hepta-2,4-dienylmethanamine (CID 118418085) is 1-bicyclo[2.2.1]hepta-2,4-dienylmethanamine.
What is the SMILES notation for 1-bicyclo[2.2.1]hepta-2,4-dienylmethanamine?
The canonical SMILES for 1-bicyclo[2.2.1]hepta-2,4-dienylmethanamine is NCC12C=CC(=CC1)C2.
What is the InChIKey of 1-bicyclo[2.2.1]hepta-2,4-dienylmethanamine?
The InChIKey is HXVYMTQRCCBSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c9-6-8-3-1-7(5-8)2-4-8/h1-3H,4-6,9H2.
What are the key properties of 1-bicyclo[2.2.1]hepta-2,4-dienylmethanamine?
1-bicyclo[2.2.1]hepta-2,4-dienylmethanamine has a molecular weight of 121.18 g/mol, XLogP of 1.22, 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-2,4-dienylmethanamine is sourced from PubChem (CID 118418085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).