1-[(2S)-2-ethenylcyclobutyl]-N-methylethanimine

C9H15N — CID 163425860

IUPAC1-[(2S)-2-ethenylcyclobutyl]-N-methylethanimine
SMILESC=C[C@@H]1CCC1/C(C)=N/C
InChIInChI=1S/C9H15N/c1-4-8-5-6-9(8)7(2)10-3/h4,8-9H,1,5-6H2,2-3H3/b10-7+/t8-,9?/m1/s1
InChIKeyAMLYBWOLTKLHEC-QLNGKHPDSA-N
MW137.23 g/mol
LogP2.29
Rot. Bonds2

About 1-[(2S)-2-ethenylcyclobutyl]-N-methylethanimine

1-[(2S)-2-ethenylcyclobutyl]-N-methylethanimine (PubChem CID 163425860) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 1-[(2S)-2-ethenylcyclobutyl]-N-methylethanimine.

Molecular Properties

Compound Name1-[(2S)-2-ethenylcyclobutyl]-N-methylethanimine
PubChem CID163425860
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name1-[(2S)-2-ethenylcyclobutyl]-N-methylethanimine
SMILESC=C[C@@H]1CCC1/C(C)=N/C
InChIInChI=1S/C9H15N/c1-4-8-5-6-9(8)7(2)10-3/h4,8-9H,1,5-6H2,2-3H3/b10-7+/t8-,9?/m1/s1
InChIKeyAMLYBWOLTKLHEC-QLNGKHPDSA-N
XLogP2.29
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.29
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 1-[(2S)-2-ethenylcyclobutyl]-N-methylethanimine?
The IUPAC name of 1-[(2S)-2-ethenylcyclobutyl]-N-methylethanimine (CID 163425860) is 1-[(2S)-2-ethenylcyclobutyl]-N-methylethanimine.
What is the SMILES notation for 1-[(2S)-2-ethenylcyclobutyl]-N-methylethanimine?
The canonical SMILES for 1-[(2S)-2-ethenylcyclobutyl]-N-methylethanimine is C=C[C@@H]1CCC1/C(C)=N/C.
What is the InChIKey of 1-[(2S)-2-ethenylcyclobutyl]-N-methylethanimine?
The InChIKey is AMLYBWOLTKLHEC-QLNGKHPDSA-N. The full InChI is InChI=1S/C9H15N/c1-4-8-5-6-9(8)7(2)10-3/h4,8-9H,1,5-6H2,2-3H3/b10-7+/t8-,9?/m1/s1.
What are the key properties of 1-[(2S)-2-ethenylcyclobutyl]-N-methylethanimine?
1-[(2S)-2-ethenylcyclobutyl]-N-methylethanimine has a molecular weight of 137.23 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-ethenylcyclobutyl]-N-methylethanimine is sourced from PubChem (CID 163425860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).