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

C18H23N3 — CID 171384314

IUPAC4-(dimethylamino)-N',2-diphenylbutanimidamide
SMILESCN(C)CCC(/C(N)=N/c1ccccc1)c1ccccc1
InChIInChI=1S/C18H23N3/c1-21(2)14-13-17(15-9-5-3-6-10-15)18(19)20-16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3,(H2,19,20)
InChIKeyXVMXPKVGHMZASQ-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.41
Rot. Bonds6

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

4-(dimethylamino)-N',2-diphenylbutanimidamide (PubChem CID 171384314) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-(dimethylamino)-N',2-diphenylbutanimidamide.

Molecular Properties

Compound Name4-(dimethylamino)-N',2-diphenylbutanimidamide
PubChem CID171384314
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name4-(dimethylamino)-N',2-diphenylbutanimidamide
SMILESCN(C)CCC(/C(N)=N/c1ccccc1)c1ccccc1
InChIInChI=1S/C18H23N3/c1-21(2)14-13-17(15-9-5-3-6-10-15)18(19)20-16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3,(H2,19,20)
InChIKeyXVMXPKVGHMZASQ-UHFFFAOYSA-N
XLogP3.41
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.41
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-(dimethylamino)-N',2-diphenylbutanimidamide?
The IUPAC name of 4-(dimethylamino)-N',2-diphenylbutanimidamide (CID 171384314) is 4-(dimethylamino)-N',2-diphenylbutanimidamide.
What is the SMILES notation for 4-(dimethylamino)-N',2-diphenylbutanimidamide?
The canonical SMILES for 4-(dimethylamino)-N',2-diphenylbutanimidamide is CN(C)CCC(/C(N)=N/c1ccccc1)c1ccccc1.
What is the InChIKey of 4-(dimethylamino)-N',2-diphenylbutanimidamide?
The InChIKey is XVMXPKVGHMZASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-21(2)14-13-17(15-9-5-3-6-10-15)18(19)20-16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3,(H2,19,20).
What are the key properties of 4-(dimethylamino)-N',2-diphenylbutanimidamide?
4-(dimethylamino)-N',2-diphenylbutanimidamide has a molecular weight of 281.40 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N',2-diphenylbutanimidamide is sourced from PubChem (CID 171384314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).