5,7-dimethylbicyclo[4.1.0]heptan-2-imine

C9H15N — CID 129276415

IUPAC5,7-dimethylbicyclo[4.1.0]heptan-2-imine
SMILES[H]/N=C1\CCC(C)C2C(C)C12
InChIInChI=1S/C9H15N/c1-5-3-4-7(10)9-6(2)8(5)9/h5-6,8-10H,3-4H2,1-2H3/b10-7+
InChIKeyZHHQWBXDNMYQSH-JXMROGBWSA-N
MW137.23 g/mol
LogP2.32
Rot. Bonds

About 5,7-dimethylbicyclo[4.1.0]heptan-2-imine

5,7-dimethylbicyclo[4.1.0]heptan-2-imine (PubChem CID 129276415) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 5,7-dimethylbicyclo[4.1.0]heptan-2-imine.

Molecular Properties

Compound Name5,7-dimethylbicyclo[4.1.0]heptan-2-imine
PubChem CID129276415
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name5,7-dimethylbicyclo[4.1.0]heptan-2-imine
SMILES[H]/N=C1\CCC(C)C2C(C)C12
InChIInChI=1S/C9H15N/c1-5-3-4-7(10)9-6(2)8(5)9/h5-6,8-10H,3-4H2,1-2H3/b10-7+
InChIKeyZHHQWBXDNMYQSH-JXMROGBWSA-N
XLogP2.32
TPSA23.85 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 ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethylbicyclo[4.1.0]heptan-2-imine?
The IUPAC name of 5,7-dimethylbicyclo[4.1.0]heptan-2-imine (CID 129276415) is 5,7-dimethylbicyclo[4.1.0]heptan-2-imine.
What is the SMILES notation for 5,7-dimethylbicyclo[4.1.0]heptan-2-imine?
The canonical SMILES for 5,7-dimethylbicyclo[4.1.0]heptan-2-imine is [H]/N=C1\CCC(C)C2C(C)C12.
What is the InChIKey of 5,7-dimethylbicyclo[4.1.0]heptan-2-imine?
The InChIKey is ZHHQWBXDNMYQSH-JXMROGBWSA-N. The full InChI is InChI=1S/C9H15N/c1-5-3-4-7(10)9-6(2)8(5)9/h5-6,8-10H,3-4H2,1-2H3/b10-7+.
What are the key properties of 5,7-dimethylbicyclo[4.1.0]heptan-2-imine?
5,7-dimethylbicyclo[4.1.0]heptan-2-imine has a molecular weight of 137.23 g/mol, XLogP of 2.32, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethylbicyclo[4.1.0]heptan-2-imine is sourced from PubChem (CID 129276415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).