bicyclo[3.3.1]non-6-en-2-amine

C9H15N — CID 544835

IUPACbicyclo[3.3.1]non-6-en-2-amine
SMILESNC1CCC2C=CCC1C2
InChIInChI=1S/C9H15N/c10-9-5-4-7-2-1-3-8(9)6-7/h1-2,7-9H,3-6,10H2
InChIKeyWKLISKDRWUOVTL-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.69
Rot. Bonds

About bicyclo[3.3.1]non-6-en-2-amine

bicyclo[3.3.1]non-6-en-2-amine (PubChem CID 544835) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is bicyclo[3.3.1]non-6-en-2-amine.

Molecular Properties

Compound Namebicyclo[3.3.1]non-6-en-2-amine
PubChem CID544835
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Namebicyclo[3.3.1]non-6-en-2-amine
SMILESNC1CCC2C=CCC1C2
InChIInChI=1S/C9H15N/c10-9-5-4-7-2-1-3-8(9)6-7/h1-2,7-9H,3-6,10H2
InChIKeyWKLISKDRWUOVTL-UHFFFAOYSA-N
XLogP1.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.69
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 bicyclo[3.3.1]non-6-en-2-amine?
The IUPAC name of bicyclo[3.3.1]non-6-en-2-amine (CID 544835) is bicyclo[3.3.1]non-6-en-2-amine.
What is the SMILES notation for bicyclo[3.3.1]non-6-en-2-amine?
The canonical SMILES for bicyclo[3.3.1]non-6-en-2-amine is NC1CCC2C=CCC1C2.
What is the InChIKey of bicyclo[3.3.1]non-6-en-2-amine?
The InChIKey is WKLISKDRWUOVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c10-9-5-4-7-2-1-3-8(9)6-7/h1-2,7-9H,3-6,10H2.
What are the key properties of bicyclo[3.3.1]non-6-en-2-amine?
bicyclo[3.3.1]non-6-en-2-amine has a molecular weight of 137.23 g/mol, XLogP of 1.69, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[3.3.1]non-6-en-2-amine is sourced from PubChem (CID 544835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).