N-(3-methylidenecyclobutyl)methanimine

C6H9N — CID 163698724

IUPACN-(3-methylidenecyclobutyl)methanimine
SMILESC=NC1CC(=C)C1
InChIInChI=1S/C6H9N/c1-5-3-6(4-5)7-2/h6H,1-4H2
InChIKeyJZCRTTQBERHALP-UHFFFAOYSA-N
MW95.14 g/mol
LogP1.41
Rot. Bonds1

About N-(3-methylidenecyclobutyl)methanimine

N-(3-methylidenecyclobutyl)methanimine (PubChem CID 163698724) has the molecular formula C6H9N and a molecular weight of 95.14 g/mol. Its IUPAC name is N-(3-methylidenecyclobutyl)methanimine.

Molecular Properties

Compound NameN-(3-methylidenecyclobutyl)methanimine
PubChem CID163698724
Molecular FormulaC6H9N
Molecular Weight95.14 g/mol
Exact Mass95.07
IUPAC NameN-(3-methylidenecyclobutyl)methanimine
SMILESC=NC1CC(=C)C1
InChIInChI=1S/C6H9N/c1-5-3-6(4-5)7-2/h6H,1-4H2
InChIKeyJZCRTTQBERHALP-UHFFFAOYSA-N
XLogP1.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.14
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylidenecyclobutyl)methanimine?
The IUPAC name of N-(3-methylidenecyclobutyl)methanimine (CID 163698724) is N-(3-methylidenecyclobutyl)methanimine.
What is the SMILES notation for N-(3-methylidenecyclobutyl)methanimine?
The canonical SMILES for N-(3-methylidenecyclobutyl)methanimine is C=NC1CC(=C)C1.
What is the InChIKey of N-(3-methylidenecyclobutyl)methanimine?
The InChIKey is JZCRTTQBERHALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N/c1-5-3-6(4-5)7-2/h6H,1-4H2.
What are the key properties of N-(3-methylidenecyclobutyl)methanimine?
N-(3-methylidenecyclobutyl)methanimine has a molecular weight of 95.14 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylidenecyclobutyl)methanimine is sourced from PubChem (CID 163698724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).