N-methylbicyclo[2.2.1]hept-5-en-2-amine

C8H13N — CID 53486278

IUPACN-methylbicyclo[2.2.1]hept-5-en-2-amine
SMILESCNC1CC2C=CC1C2
InChIInChI=1S/C8H13N/c1-9-8-5-6-2-3-7(8)4-6/h2-3,6-9H,4-5H2,1H3
InChIKeyFDFKXQBLKJOSTQ-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.17
Rot. Bonds1

About N-methylbicyclo[2.2.1]hept-5-en-2-amine

N-methylbicyclo[2.2.1]hept-5-en-2-amine (PubChem CID 53486278) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is N-methylbicyclo[2.2.1]hept-5-en-2-amine.

Molecular Properties

Compound NameN-methylbicyclo[2.2.1]hept-5-en-2-amine
PubChem CID53486278
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC NameN-methylbicyclo[2.2.1]hept-5-en-2-amine
SMILESCNC1CC2C=CC1C2
InChIInChI=1S/C8H13N/c1-9-8-5-6-2-3-7(8)4-6/h2-3,6-9H,4-5H2,1H3
InChIKeyFDFKXQBLKJOSTQ-UHFFFAOYSA-N
XLogP1.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methylbicyclo[2.2.1]hept-5-en-2-amine?
The IUPAC name of N-methylbicyclo[2.2.1]hept-5-en-2-amine (CID 53486278) is N-methylbicyclo[2.2.1]hept-5-en-2-amine.
What is the SMILES notation for N-methylbicyclo[2.2.1]hept-5-en-2-amine?
The canonical SMILES for N-methylbicyclo[2.2.1]hept-5-en-2-amine is CNC1CC2C=CC1C2.
What is the InChIKey of N-methylbicyclo[2.2.1]hept-5-en-2-amine?
The InChIKey is FDFKXQBLKJOSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-9-8-5-6-2-3-7(8)4-6/h2-3,6-9H,4-5H2,1H3.
What are the key properties of N-methylbicyclo[2.2.1]hept-5-en-2-amine?
N-methylbicyclo[2.2.1]hept-5-en-2-amine has a molecular weight of 123.20 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylbicyclo[2.2.1]hept-5-en-2-amine is sourced from PubChem (CID 53486278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).