N'-amino-4-methylbenzenecarboximidamide

C8H11N3 — CID 11378582

IUPACN'-amino-4-methylbenzenecarboximidamide
SMILESCc1ccc(/C(N)=N/N)cc1
InChIInChI=1S/C8H11N3/c1-6-2-4-7(5-3-6)8(9)11-10/h2-5H,10H2,1H3,(H2,9,11)
InChIKeyYPYMUTJWVQVMPK-UHFFFAOYSA-N
MW149.20 g/mol
LogP0.57
Rot. Bonds1

About N'-amino-4-methylbenzenecarboximidamide

N'-amino-4-methylbenzenecarboximidamide (PubChem CID 11378582) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is N'-amino-4-methylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-amino-4-methylbenzenecarboximidamide
PubChem CID11378582
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC NameN'-amino-4-methylbenzenecarboximidamide
SMILESCc1ccc(/C(N)=N/N)cc1
InChIInChI=1S/C8H11N3/c1-6-2-4-7(5-3-6)8(9)11-10/h2-5H,10H2,1H3,(H2,9,11)
InChIKeyYPYMUTJWVQVMPK-UHFFFAOYSA-N
XLogP0.57
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 50.57
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-4-methylbenzenecarboximidamide?
The IUPAC name of N'-amino-4-methylbenzenecarboximidamide (CID 11378582) is N'-amino-4-methylbenzenecarboximidamide.
What is the SMILES notation for N'-amino-4-methylbenzenecarboximidamide?
The canonical SMILES for N'-amino-4-methylbenzenecarboximidamide is Cc1ccc(/C(N)=N/N)cc1.
What is the InChIKey of N'-amino-4-methylbenzenecarboximidamide?
The InChIKey is YPYMUTJWVQVMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-6-2-4-7(5-3-6)8(9)11-10/h2-5H,10H2,1H3,(H2,9,11).
What are the key properties of N'-amino-4-methylbenzenecarboximidamide?
N'-amino-4-methylbenzenecarboximidamide has a molecular weight of 149.20 g/mol, XLogP of 0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-4-methylbenzenecarboximidamide is sourced from PubChem (CID 11378582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).