1-(1-bicyclo[1.1.1]pentanyl)-N-methylmethanimine

C7H11N — CID 122644999

IUPAC1-(1-bicyclo[1.1.1]pentanyl)-N-methylmethanimine
SMILESC/N=C/C12CC(C1)C2
InChIInChI=1S/C7H11N/c1-8-5-7-2-6(3-7)4-7/h5-6H,2-4H2,1H3/b8-5+
InChIKeyKVDCTFBOZSICIX-VMPITWQZSA-N
MW109.17 g/mol
LogP1.49
Rot. Bonds1

About 1-(1-bicyclo[1.1.1]pentanyl)-N-methylmethanimine

1-(1-bicyclo[1.1.1]pentanyl)-N-methylmethanimine (PubChem CID 122644999) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 1-(1-bicyclo[1.1.1]pentanyl)-N-methylmethanimine.

Molecular Properties

Compound Name1-(1-bicyclo[1.1.1]pentanyl)-N-methylmethanimine
PubChem CID122644999
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name1-(1-bicyclo[1.1.1]pentanyl)-N-methylmethanimine
SMILESC/N=C/C12CC(C1)C2
InChIInChI=1S/C7H11N/c1-8-5-7-2-6(3-7)4-7/h5-6H,2-4H2,1H3/b8-5+
InChIKeyKVDCTFBOZSICIX-VMPITWQZSA-N
XLogP1.49
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.49
H-Bond Donors ≤ 50
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-(1-bicyclo[1.1.1]pentanyl)-N-methylmethanimine?
The IUPAC name of 1-(1-bicyclo[1.1.1]pentanyl)-N-methylmethanimine (CID 122644999) is 1-(1-bicyclo[1.1.1]pentanyl)-N-methylmethanimine.
What is the SMILES notation for 1-(1-bicyclo[1.1.1]pentanyl)-N-methylmethanimine?
The canonical SMILES for 1-(1-bicyclo[1.1.1]pentanyl)-N-methylmethanimine is C/N=C/C12CC(C1)C2.
What is the InChIKey of 1-(1-bicyclo[1.1.1]pentanyl)-N-methylmethanimine?
The InChIKey is KVDCTFBOZSICIX-VMPITWQZSA-N. The full InChI is InChI=1S/C7H11N/c1-8-5-7-2-6(3-7)4-7/h5-6H,2-4H2,1H3/b8-5+.
What are the key properties of 1-(1-bicyclo[1.1.1]pentanyl)-N-methylmethanimine?
1-(1-bicyclo[1.1.1]pentanyl)-N-methylmethanimine has a molecular weight of 109.17 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bicyclo[1.1.1]pentanyl)-N-methylmethanimine is sourced from PubChem (CID 122644999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).