bicyclo[2.2.1]heptane;methanimine

C8H15N — CID 69055097

IUPACbicyclo[2.2.1]heptane;methanimine
SMILESC1CC2CCC1C2.[H]N=C
InChIInChI=1S/C7H12.CH3N/c1-2-7-4-3-6(1)5-7;1-2/h6-7H,1-5H2;2H,1H2
InChIKeyQZWZQFUIUVLQPX-UHFFFAOYSA-N
MW125.22 g/mol
LogP2.46
Rot. Bonds

About bicyclo[2.2.1]heptane;methanimine

bicyclo[2.2.1]heptane;methanimine (PubChem CID 69055097) has the molecular formula C8H15N and a molecular weight of 125.22 g/mol. Its IUPAC name is bicyclo[2.2.1]heptane;methanimine.

Molecular Properties

Compound Namebicyclo[2.2.1]heptane;methanimine
PubChem CID69055097
Molecular FormulaC8H15N
Molecular Weight125.22 g/mol
Exact Mass125.12
IUPAC Namebicyclo[2.2.1]heptane;methanimine
SMILESC1CC2CCC1C2.[H]N=C
InChIInChI=1S/C7H12.CH3N/c1-2-7-4-3-6(1)5-7;1-2/h6-7H,1-5H2;2H,1H2
InChIKeyQZWZQFUIUVLQPX-UHFFFAOYSA-N
XLogP2.46
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.22
LogP ≤ 52.46
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 bicyclo[2.2.1]heptane;methanimine?
The IUPAC name of bicyclo[2.2.1]heptane;methanimine (CID 69055097) is bicyclo[2.2.1]heptane;methanimine.
What is the SMILES notation for bicyclo[2.2.1]heptane;methanimine?
The canonical SMILES for bicyclo[2.2.1]heptane;methanimine is C1CC2CCC1C2.[H]N=C.
What is the InChIKey of bicyclo[2.2.1]heptane;methanimine?
The InChIKey is QZWZQFUIUVLQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12.CH3N/c1-2-7-4-3-6(1)5-7;1-2/h6-7H,1-5H2;2H,1H2.
What are the key properties of bicyclo[2.2.1]heptane;methanimine?
bicyclo[2.2.1]heptane;methanimine has a molecular weight of 125.22 g/mol, XLogP of 2.46, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.1]heptane;methanimine is sourced from PubChem (CID 69055097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).