N-(4-aminophenyl)-N,N'-dimethylethanimidamide

C10H15N3 — CID 70562086

IUPACN-(4-aminophenyl)-N,N'-dimethylethanimidamide
SMILESC/N=C(\C)N(C)c1ccc(N)cc1
InChIInChI=1S/C10H15N3/c1-8(12-2)13(3)10-6-4-9(11)5-7-10/h4-7H,11H2,1-3H3/b12-8+
InChIKeyJSLBOTJXEBXJHC-XYOKQWHBSA-N
MW177.25 g/mol
LogP1.75
Rot. Bonds1

About N-(4-aminophenyl)-N,N'-dimethylethanimidamide

N-(4-aminophenyl)-N,N'-dimethylethanimidamide (PubChem CID 70562086) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is N-(4-aminophenyl)-N,N'-dimethylethanimidamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-N,N'-dimethylethanimidamide
PubChem CID70562086
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC NameN-(4-aminophenyl)-N,N'-dimethylethanimidamide
SMILESC/N=C(\C)N(C)c1ccc(N)cc1
InChIInChI=1S/C10H15N3/c1-8(12-2)13(3)10-6-4-9(11)5-7-10/h4-7H,11H2,1-3H3/b12-8+
InChIKeyJSLBOTJXEBXJHC-XYOKQWHBSA-N
XLogP1.75
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'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 N-(4-aminophenyl)-N,N'-dimethylethanimidamide?
The IUPAC name of N-(4-aminophenyl)-N,N'-dimethylethanimidamide (CID 70562086) is N-(4-aminophenyl)-N,N'-dimethylethanimidamide.
What is the SMILES notation for N-(4-aminophenyl)-N,N'-dimethylethanimidamide?
The canonical SMILES for N-(4-aminophenyl)-N,N'-dimethylethanimidamide is C/N=C(\C)N(C)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-N,N'-dimethylethanimidamide?
The InChIKey is JSLBOTJXEBXJHC-XYOKQWHBSA-N. The full InChI is InChI=1S/C10H15N3/c1-8(12-2)13(3)10-6-4-9(11)5-7-10/h4-7H,11H2,1-3H3/b12-8+.
What are the key properties of N-(4-aminophenyl)-N,N'-dimethylethanimidamide?
N-(4-aminophenyl)-N,N'-dimethylethanimidamide has a molecular weight of 177.25 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-N,N'-dimethylethanimidamide is sourced from PubChem (CID 70562086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).