1-(1-phenylcyclobutyl)ethanimine

C12H15N — CID 58488751

IUPAC1-(1-phenylcyclobutyl)ethanimine
SMILES[H]/N=C(\C)C1(c2ccccc2)CCC1
InChIInChI=1S/C12H15N/c1-10(13)12(8-5-9-12)11-6-3-2-4-7-11/h2-4,6-7,13H,5,8-9H2,1H3/b13-10+
InChIKeyLQXGSNAGTFJCGJ-JLHYYAGUSA-N
MW173.26 g/mol
LogP3.15
Rot. Bonds2

About 1-(1-phenylcyclobutyl)ethanimine

1-(1-phenylcyclobutyl)ethanimine (PubChem CID 58488751) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 1-(1-phenylcyclobutyl)ethanimine.

Molecular Properties

Compound Name1-(1-phenylcyclobutyl)ethanimine
PubChem CID58488751
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name1-(1-phenylcyclobutyl)ethanimine
SMILES[H]/N=C(\C)C1(c2ccccc2)CCC1
InChIInChI=1S/C12H15N/c1-10(13)12(8-5-9-12)11-6-3-2-4-7-11/h2-4,6-7,13H,5,8-9H2,1H3/b13-10+
InChIKeyLQXGSNAGTFJCGJ-JLHYYAGUSA-N
XLogP3.15
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 53.15
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-(1-phenylcyclobutyl)ethanimine?
The IUPAC name of 1-(1-phenylcyclobutyl)ethanimine (CID 58488751) is 1-(1-phenylcyclobutyl)ethanimine.
What is the SMILES notation for 1-(1-phenylcyclobutyl)ethanimine?
The canonical SMILES for 1-(1-phenylcyclobutyl)ethanimine is [H]/N=C(\C)C1(c2ccccc2)CCC1.
What is the InChIKey of 1-(1-phenylcyclobutyl)ethanimine?
The InChIKey is LQXGSNAGTFJCGJ-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H15N/c1-10(13)12(8-5-9-12)11-6-3-2-4-7-11/h2-4,6-7,13H,5,8-9H2,1H3/b13-10+.
What are the key properties of 1-(1-phenylcyclobutyl)ethanimine?
1-(1-phenylcyclobutyl)ethanimine has a molecular weight of 173.26 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylcyclobutyl)ethanimine is sourced from PubChem (CID 58488751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).