N'-(N,N'-diphenylcarbamimidoyl)propanimidamide

C16H18N4 — CID 102035335

IUPACN'-(N,N'-diphenylcarbamimidoyl)propanimidamide
SMILESCCC(N)=N/C(=N\c1ccccc1)Nc1ccccc1
InChIInChI=1S/C16H18N4/c1-2-15(17)20-16(18-13-9-5-3-6-10-13)19-14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H3,17,18,19,20)
InChIKeyIARJRFFEIBDNEW-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.55
Rot. Bonds3

About N'-(N,N'-diphenylcarbamimidoyl)propanimidamide

N'-(N,N'-diphenylcarbamimidoyl)propanimidamide (PubChem CID 102035335) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is N'-(N,N'-diphenylcarbamimidoyl)propanimidamide.

Molecular Properties

Compound NameN'-(N,N'-diphenylcarbamimidoyl)propanimidamide
PubChem CID102035335
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC NameN'-(N,N'-diphenylcarbamimidoyl)propanimidamide
SMILESCCC(N)=N/C(=N\c1ccccc1)Nc1ccccc1
InChIInChI=1S/C16H18N4/c1-2-15(17)20-16(18-13-9-5-3-6-10-13)19-14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H3,17,18,19,20)
InChIKeyIARJRFFEIBDNEW-UHFFFAOYSA-N
XLogP3.55
TPSA62.77 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N'-(N,N'-diphenylcarbamimidoyl)propanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(4-phenylphenyl)propanimidamide
CID 63178783
zinc;1,2-diphenylguanidine;oxygen(2-);sulfane;hydrate
CID 172780752
ethanol;2-phenylguanidine
CID 172840613
1-[amino-(ethylideneamino)methylidene]-2-ethyl-3-phenylguanidine
CID 89364945
dimethylgallane;N,N'-diphenylethanimidamide
CID 173308791
1-phenyl-2-(1-phenylpropyl)guanidine
CID 20811726
3-(1-anilinoethenylamino)-N'-phenylbut-2-enimidamide
CID 173491524
ethanol;phenylurea
CID 158950745
1-anilino-2-phenylguanidine
CID 18758781
1-amino-3-(3-ethylphenyl)-2-phenylguanidine
CID 116512544
1-[[N'-(2-methylphenyl)carbamimidoyl]amino]-2,3-diphenylguanidine
CID 57051109
2-butyl-1-carbamimidoylguanidine;1,2-diphenylguanidine
CID 176533869

Frequently Asked Questions

What is the IUPAC name of N'-(N,N'-diphenylcarbamimidoyl)propanimidamide?
The IUPAC name of N'-(N,N'-diphenylcarbamimidoyl)propanimidamide (CID 102035335) is N'-(N,N'-diphenylcarbamimidoyl)propanimidamide.
What is the SMILES notation for N'-(N,N'-diphenylcarbamimidoyl)propanimidamide?
The canonical SMILES for N'-(N,N'-diphenylcarbamimidoyl)propanimidamide is CCC(N)=N/C(=N\c1ccccc1)Nc1ccccc1.
What is the InChIKey of N'-(N,N'-diphenylcarbamimidoyl)propanimidamide?
The InChIKey is IARJRFFEIBDNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-2-15(17)20-16(18-13-9-5-3-6-10-13)19-14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H3,17,18,19,20).
What are the key properties of N'-(N,N'-diphenylcarbamimidoyl)propanimidamide?
N'-(N,N'-diphenylcarbamimidoyl)propanimidamide has a molecular weight of 266.35 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(N,N'-diphenylcarbamimidoyl)propanimidamide is sourced from PubChem (CID 102035335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).