1-bicyclo[1.1.1]pentanylmethanimine

C6H9N — CID 123959264

IUPAC1-bicyclo[1.1.1]pentanylmethanimine
SMILES[H]/N=C/C12CC(C1)C2
InChIInChI=1S/C6H9N/c7-4-6-1-5(2-6)3-6/h4-5,7H,1-3H2/b7-4+
InChIKeyMAPZPAWQAMYGQW-QPJJXVBHSA-N
MW95.14 g/mol
LogP1.44
Rot. Bonds1

About 1-bicyclo[1.1.1]pentanylmethanimine

1-bicyclo[1.1.1]pentanylmethanimine (PubChem CID 123959264) has the molecular formula C6H9N and a molecular weight of 95.14 g/mol. Its IUPAC name is 1-bicyclo[1.1.1]pentanylmethanimine.

Molecular Properties

Compound Name1-bicyclo[1.1.1]pentanylmethanimine
PubChem CID123959264
Molecular FormulaC6H9N
Molecular Weight95.14 g/mol
Exact Mass95.07
IUPAC Name1-bicyclo[1.1.1]pentanylmethanimine
SMILES[H]/N=C/C12CC(C1)C2
InChIInChI=1S/C6H9N/c7-4-6-1-5(2-6)3-6/h4-5,7H,1-3H2/b7-4+
InChIKeyMAPZPAWQAMYGQW-QPJJXVBHSA-N
XLogP1.44
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.14
LogP ≤ 51.44
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 1-bicyclo[1.1.1]pentanylmethanimine?
The IUPAC name of 1-bicyclo[1.1.1]pentanylmethanimine (CID 123959264) is 1-bicyclo[1.1.1]pentanylmethanimine.
What is the SMILES notation for 1-bicyclo[1.1.1]pentanylmethanimine?
The canonical SMILES for 1-bicyclo[1.1.1]pentanylmethanimine is [H]/N=C/C12CC(C1)C2.
What is the InChIKey of 1-bicyclo[1.1.1]pentanylmethanimine?
The InChIKey is MAPZPAWQAMYGQW-QPJJXVBHSA-N. The full InChI is InChI=1S/C6H9N/c7-4-6-1-5(2-6)3-6/h4-5,7H,1-3H2/b7-4+.
What are the key properties of 1-bicyclo[1.1.1]pentanylmethanimine?
1-bicyclo[1.1.1]pentanylmethanimine has a molecular weight of 95.14 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bicyclo[1.1.1]pentanylmethanimine is sourced from PubChem (CID 123959264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).