N-amino-N',4-dimethylbenzenecarboximidamide

C9H13N3 — CID 61360444

IUPACN-amino-N',4-dimethylbenzenecarboximidamide
SMILESC/N=C(\NN)c1ccc(C)cc1
InChIInChI=1S/C9H13N3/c1-7-3-5-8(6-4-7)9(11-2)12-10/h3-6H,10H2,1-2H3,(H,11,12)
InChIKeyHERBTFQCIPBDHT-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.83
Rot. Bonds1

About N-amino-N',4-dimethylbenzenecarboximidamide

N-amino-N',4-dimethylbenzenecarboximidamide (PubChem CID 61360444) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is N-amino-N',4-dimethylbenzenecarboximidamide.

Molecular Properties

Compound NameN-amino-N',4-dimethylbenzenecarboximidamide
PubChem CID61360444
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC NameN-amino-N',4-dimethylbenzenecarboximidamide
SMILESC/N=C(\NN)c1ccc(C)cc1
InChIInChI=1S/C9H13N3/c1-7-3-5-8(6-4-7)9(11-2)12-10/h3-6H,10H2,1-2H3,(H,11,12)
InChIKeyHERBTFQCIPBDHT-UHFFFAOYSA-N
XLogP0.83
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-amino-N',4-dimethylbenzenecarboximidamide?
The IUPAC name of N-amino-N',4-dimethylbenzenecarboximidamide (CID 61360444) is N-amino-N',4-dimethylbenzenecarboximidamide.
What is the SMILES notation for N-amino-N',4-dimethylbenzenecarboximidamide?
The canonical SMILES for N-amino-N',4-dimethylbenzenecarboximidamide is C/N=C(\NN)c1ccc(C)cc1.
What is the InChIKey of N-amino-N',4-dimethylbenzenecarboximidamide?
The InChIKey is HERBTFQCIPBDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-7-3-5-8(6-4-7)9(11-2)12-10/h3-6H,10H2,1-2H3,(H,11,12).
What are the key properties of N-amino-N',4-dimethylbenzenecarboximidamide?
N-amino-N',4-dimethylbenzenecarboximidamide has a molecular weight of 163.22 g/mol, XLogP of 0.83, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N',4-dimethylbenzenecarboximidamide is sourced from PubChem (CID 61360444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).