1-(2,2-diethyloxan-4-yl)piperidin-2-imine

C14H26N2O — CID 83029021

IUPAC1-(2,2-diethyloxan-4-yl)piperidin-2-imine
SMILES[H]/N=C1\CCCCN1C1CCOC(CC)(CC)C1
InChIInChI=1S/C14H26N2O/c1-3-14(4-2)11-12(8-10-17-14)16-9-6-5-7-13(16)15/h12,15H,3-11H2,1-2H3/b15-13+
InChIKeyUSVFKLZKBKEHGJ-FYWRMAATSA-N
MW238.37 g/mol
LogP3.19
Rot. Bonds3

About 1-(2,2-diethyloxan-4-yl)piperidin-2-imine

1-(2,2-diethyloxan-4-yl)piperidin-2-imine (PubChem CID 83029021) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-(2,2-diethyloxan-4-yl)piperidin-2-imine.

Molecular Properties

Compound Name1-(2,2-diethyloxan-4-yl)piperidin-2-imine
PubChem CID83029021
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-(2,2-diethyloxan-4-yl)piperidin-2-imine
SMILES[H]/N=C1\CCCCN1C1CCOC(CC)(CC)C1
InChIInChI=1S/C14H26N2O/c1-3-14(4-2)11-12(8-10-17-14)16-9-6-5-7-13(16)15/h12,15H,3-11H2,1-2H3/b15-13+
InChIKeyUSVFKLZKBKEHGJ-FYWRMAATSA-N
XLogP3.19
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2,2-diethyloxan-4-yl)piperidin-2-imine?
The IUPAC name of 1-(2,2-diethyloxan-4-yl)piperidin-2-imine (CID 83029021) is 1-(2,2-diethyloxan-4-yl)piperidin-2-imine.
What is the SMILES notation for 1-(2,2-diethyloxan-4-yl)piperidin-2-imine?
The canonical SMILES for 1-(2,2-diethyloxan-4-yl)piperidin-2-imine is [H]/N=C1\CCCCN1C1CCOC(CC)(CC)C1.
What is the InChIKey of 1-(2,2-diethyloxan-4-yl)piperidin-2-imine?
The InChIKey is USVFKLZKBKEHGJ-FYWRMAATSA-N. The full InChI is InChI=1S/C14H26N2O/c1-3-14(4-2)11-12(8-10-17-14)16-9-6-5-7-13(16)15/h12,15H,3-11H2,1-2H3/b15-13+.
What are the key properties of 1-(2,2-diethyloxan-4-yl)piperidin-2-imine?
1-(2,2-diethyloxan-4-yl)piperidin-2-imine has a molecular weight of 238.37 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diethyloxan-4-yl)piperidin-2-imine is sourced from PubChem (CID 83029021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).