N-methylbicyclo[2.2.2]oct-5-en-2-amine

C9H15N — CID 14242635

IUPACN-methylbicyclo[2.2.2]oct-5-en-2-amine
SMILESCNC1CC2C=CC1CC2
InChIInChI=1S/C9H15N/c1-10-9-6-7-2-4-8(9)5-3-7/h2,4,7-10H,3,5-6H2,1H3
InChIKeyHOVXMBUBWPLAJP-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.56
Rot. Bonds1

About N-methylbicyclo[2.2.2]oct-5-en-2-amine

N-methylbicyclo[2.2.2]oct-5-en-2-amine (PubChem CID 14242635) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is N-methylbicyclo[2.2.2]oct-5-en-2-amine.

Molecular Properties

Compound NameN-methylbicyclo[2.2.2]oct-5-en-2-amine
PubChem CID14242635
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC NameN-methylbicyclo[2.2.2]oct-5-en-2-amine
SMILESCNC1CC2C=CC1CC2
InChIInChI=1S/C9H15N/c1-10-9-6-7-2-4-8(9)5-3-7/h2,4,7-10H,3,5-6H2,1H3
InChIKeyHOVXMBUBWPLAJP-UHFFFAOYSA-N
XLogP1.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.56
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[2.2.2]oct-5-en-2-amine?
The IUPAC name of N-methylbicyclo[2.2.2]oct-5-en-2-amine (CID 14242635) is N-methylbicyclo[2.2.2]oct-5-en-2-amine.
What is the SMILES notation for N-methylbicyclo[2.2.2]oct-5-en-2-amine?
The canonical SMILES for N-methylbicyclo[2.2.2]oct-5-en-2-amine is CNC1CC2C=CC1CC2.
What is the InChIKey of N-methylbicyclo[2.2.2]oct-5-en-2-amine?
The InChIKey is HOVXMBUBWPLAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-10-9-6-7-2-4-8(9)5-3-7/h2,4,7-10H,3,5-6H2,1H3.
What are the key properties of N-methylbicyclo[2.2.2]oct-5-en-2-amine?
N-methylbicyclo[2.2.2]oct-5-en-2-amine has a molecular weight of 137.23 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylbicyclo[2.2.2]oct-5-en-2-amine is sourced from PubChem (CID 14242635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).