4-cyclobutylbutan-2-imine

C8H15N — CID 123285952

IUPAC4-cyclobutylbutan-2-imine
SMILES[H]/N=C(\C)CCC1CCC1
InChIInChI=1S/C8H15N/c1-7(9)5-6-8-3-2-4-8/h8-9H,2-6H2,1H3/b9-7+
InChIKeyZTGXEVYYYRNYBX-VQHVLOKHSA-N
MW125.21 g/mol
LogP2.61
Rot. Bonds3

About 4-cyclobutylbutan-2-imine

4-cyclobutylbutan-2-imine (PubChem CID 123285952) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 4-cyclobutylbutan-2-imine.

Molecular Properties

Compound Name4-cyclobutylbutan-2-imine
PubChem CID123285952
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name4-cyclobutylbutan-2-imine
SMILES[H]/N=C(\C)CCC1CCC1
InChIInChI=1S/C8H15N/c1-7(9)5-6-8-3-2-4-8/h8-9H,2-6H2,1H3/b9-7+
InChIKeyZTGXEVYYYRNYBX-VQHVLOKHSA-N
XLogP2.61
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.61
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 4-cyclobutylbutan-2-imine?
The IUPAC name of 4-cyclobutylbutan-2-imine (CID 123285952) is 4-cyclobutylbutan-2-imine.
What is the SMILES notation for 4-cyclobutylbutan-2-imine?
The canonical SMILES for 4-cyclobutylbutan-2-imine is [H]/N=C(\C)CCC1CCC1.
What is the InChIKey of 4-cyclobutylbutan-2-imine?
The InChIKey is ZTGXEVYYYRNYBX-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H15N/c1-7(9)5-6-8-3-2-4-8/h8-9H,2-6H2,1H3/b9-7+.
What are the key properties of 4-cyclobutylbutan-2-imine?
4-cyclobutylbutan-2-imine has a molecular weight of 125.21 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutylbutan-2-imine is sourced from PubChem (CID 123285952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).