4-(diethylamino)-N',2-diphenylbutanimidamide

C20H27N3 — CID 171384844

IUPAC4-(diethylamino)-N',2-diphenylbutanimidamide
SMILESCCN(CC)CCC(/C(N)=N/c1ccccc1)c1ccccc1
InChIInChI=1S/C20H27N3/c1-3-23(4-2)16-15-19(17-11-7-5-8-12-17)20(21)22-18-13-9-6-10-14-18/h5-14,19H,3-4,15-16H2,1-2H3,(H2,21,22)
InChIKeyQWQNEZWWSDRHIZ-UHFFFAOYSA-N
MW309.46 g/mol
LogP4.19
Rot. Bonds8

About 4-(diethylamino)-N',2-diphenylbutanimidamide

4-(diethylamino)-N',2-diphenylbutanimidamide (PubChem CID 171384844) has the molecular formula C20H27N3 and a molecular weight of 309.46 g/mol. Its IUPAC name is 4-(diethylamino)-N',2-diphenylbutanimidamide.

Molecular Properties

Compound Name4-(diethylamino)-N',2-diphenylbutanimidamide
PubChem CID171384844
Molecular FormulaC20H27N3
Molecular Weight309.46 g/mol
Exact Mass309.22
IUPAC Name4-(diethylamino)-N',2-diphenylbutanimidamide
SMILESCCN(CC)CCC(/C(N)=N/c1ccccc1)c1ccccc1
InChIInChI=1S/C20H27N3/c1-3-23(4-2)16-15-19(17-11-7-5-8-12-17)20(21)22-18-13-9-6-10-14-18/h5-14,19H,3-4,15-16H2,1-2H3,(H2,21,22)
InChIKeyQWQNEZWWSDRHIZ-UHFFFAOYSA-N
XLogP4.19
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-N',2-diphenylbutanimidamide?
The IUPAC name of 4-(diethylamino)-N',2-diphenylbutanimidamide (CID 171384844) is 4-(diethylamino)-N',2-diphenylbutanimidamide.
What is the SMILES notation for 4-(diethylamino)-N',2-diphenylbutanimidamide?
The canonical SMILES for 4-(diethylamino)-N',2-diphenylbutanimidamide is CCN(CC)CCC(/C(N)=N/c1ccccc1)c1ccccc1.
What is the InChIKey of 4-(diethylamino)-N',2-diphenylbutanimidamide?
The InChIKey is QWQNEZWWSDRHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3/c1-3-23(4-2)16-15-19(17-11-7-5-8-12-17)20(21)22-18-13-9-6-10-14-18/h5-14,19H,3-4,15-16H2,1-2H3,(H2,21,22).
What are the key properties of 4-(diethylamino)-N',2-diphenylbutanimidamide?
4-(diethylamino)-N',2-diphenylbutanimidamide has a molecular weight of 309.46 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-N',2-diphenylbutanimidamide is sourced from PubChem (CID 171384844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).