2,3,5,6-tetramethylbicyclo[2.2.0]hex-2-en-1-amine

C10H17N — CID 163748640

IUPAC2,3,5,6-tetramethylbicyclo[2.2.0]hex-2-en-1-amine
SMILESCC1=C(C)C2(N)C(C)C(C)C12
InChIInChI=1S/C10H17N/c1-5-7(3)10(11)8(4)6(2)9(5)10/h5,7,9H,11H2,1-4H3
InChIKeyLOBSJYIPKMARIY-UHFFFAOYSA-N
MW151.25 g/mol
LogP1.94
Rot. Bonds

About 2,3,5,6-tetramethylbicyclo[2.2.0]hex-2-en-1-amine

2,3,5,6-tetramethylbicyclo[2.2.0]hex-2-en-1-amine (PubChem CID 163748640) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 2,3,5,6-tetramethylbicyclo[2.2.0]hex-2-en-1-amine.

Molecular Properties

Compound Name2,3,5,6-tetramethylbicyclo[2.2.0]hex-2-en-1-amine
PubChem CID163748640
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name2,3,5,6-tetramethylbicyclo[2.2.0]hex-2-en-1-amine
SMILESCC1=C(C)C2(N)C(C)C(C)C12
InChIInChI=1S/C10H17N/c1-5-7(3)10(11)8(4)6(2)9(5)10/h5,7,9H,11H2,1-4H3
InChIKeyLOBSJYIPKMARIY-UHFFFAOYSA-N
XLogP1.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 51.94
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 2,3,5,6-tetramethylbicyclo[2.2.0]hex-2-en-1-amine?
The IUPAC name of 2,3,5,6-tetramethylbicyclo[2.2.0]hex-2-en-1-amine (CID 163748640) is 2,3,5,6-tetramethylbicyclo[2.2.0]hex-2-en-1-amine.
What is the SMILES notation for 2,3,5,6-tetramethylbicyclo[2.2.0]hex-2-en-1-amine?
The canonical SMILES for 2,3,5,6-tetramethylbicyclo[2.2.0]hex-2-en-1-amine is CC1=C(C)C2(N)C(C)C(C)C12.
What is the InChIKey of 2,3,5,6-tetramethylbicyclo[2.2.0]hex-2-en-1-amine?
The InChIKey is LOBSJYIPKMARIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-5-7(3)10(11)8(4)6(2)9(5)10/h5,7,9H,11H2,1-4H3.
What are the key properties of 2,3,5,6-tetramethylbicyclo[2.2.0]hex-2-en-1-amine?
2,3,5,6-tetramethylbicyclo[2.2.0]hex-2-en-1-amine has a molecular weight of 151.25 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetramethylbicyclo[2.2.0]hex-2-en-1-amine is sourced from PubChem (CID 163748640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).