2,3-diethylcyclobutan-1-imine

C8H15N — CID 163689155

IUPAC2,3-diethylcyclobutan-1-imine
SMILES[H]/N=C1\CC(CC)C1CC
InChIInChI=1S/C8H15N/c1-3-6-5-8(9)7(6)4-2/h6-7,9H,3-5H2,1-2H3/b9-8+
InChIKeyJRLOVGIPTSUGEQ-CMDGGOBGSA-N
MW125.21 g/mol
LogP2.46
Rot. Bonds2

About 2,3-diethylcyclobutan-1-imine

2,3-diethylcyclobutan-1-imine (PubChem CID 163689155) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 2,3-diethylcyclobutan-1-imine.

Molecular Properties

Compound Name2,3-diethylcyclobutan-1-imine
PubChem CID163689155
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name2,3-diethylcyclobutan-1-imine
SMILES[H]/N=C1\CC(CC)C1CC
InChIInChI=1S/C8H15N/c1-3-6-5-8(9)7(6)4-2/h6-7,9H,3-5H2,1-2H3/b9-8+
InChIKeyJRLOVGIPTSUGEQ-CMDGGOBGSA-N
XLogP2.46
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.46
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 2,3-diethylcyclobutan-1-imine?
The IUPAC name of 2,3-diethylcyclobutan-1-imine (CID 163689155) is 2,3-diethylcyclobutan-1-imine.
What is the SMILES notation for 2,3-diethylcyclobutan-1-imine?
The canonical SMILES for 2,3-diethylcyclobutan-1-imine is [H]/N=C1\CC(CC)C1CC.
What is the InChIKey of 2,3-diethylcyclobutan-1-imine?
The InChIKey is JRLOVGIPTSUGEQ-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H15N/c1-3-6-5-8(9)7(6)4-2/h6-7,9H,3-5H2,1-2H3/b9-8+.
What are the key properties of 2,3-diethylcyclobutan-1-imine?
2,3-diethylcyclobutan-1-imine has a molecular weight of 125.21 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethylcyclobutan-1-imine is sourced from PubChem (CID 163689155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).