N'-amino-4-(4-methylphenyl)benzenecarboximidamide

C14H15N3 — CID 6860627

IUPACN'-amino-4-(4-methylphenyl)benzenecarboximidamide
SMILESCc1ccc(-c2ccc(C(N)=NN)cc2)cc1
InChIInChI=1S/C14H15N3/c1-10-2-4-11(5-3-10)12-6-8-13(9-7-12)14(15)17-16/h2-9H,16H2,1H3,(H2,15,17)
InChIKeyDKUMFPWSHAXXPC-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.24
Rot. Bonds2

About N'-amino-4-(4-methylphenyl)benzenecarboximidamide

N'-amino-4-(4-methylphenyl)benzenecarboximidamide (PubChem CID 6860627) has the molecular formula C14H15N3 and a molecular weight of 225.29 g/mol. Its IUPAC name is N'-amino-4-(4-methylphenyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-amino-4-(4-methylphenyl)benzenecarboximidamide
PubChem CID6860627
Molecular FormulaC14H15N3
Molecular Weight225.29 g/mol
Exact Mass225.13
IUPAC NameN'-amino-4-(4-methylphenyl)benzenecarboximidamide
SMILESCc1ccc(-c2ccc(C(N)=NN)cc2)cc1
InChIInChI=1S/C14H15N3/c1-10-2-4-11(5-3-10)12-6-8-13(9-7-12)14(15)17-16/h2-9H,16H2,1H3,(H2,15,17)
InChIKeyDKUMFPWSHAXXPC-UHFFFAOYSA-N
XLogP2.24
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.24
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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Related Compounds

[2-hydrazinylidene-1,2-bis(4-methylphenyl)ethylidene]hydrazine
CID 175459980
N'-amino-4-hydroxybenzenecarboximidamide
CID 135693195
N'-amino-4-methoxybenzenecarboximidamide
CID 54365169
N'-(4-methylphenyl)sulfonyl-4-phenylbenzenecarboximidamide
CID 171485898
N'-aminobenzenecarboximidamide
CID 5474957
N'-hydroxy-4-[4-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]benzenecarboximidamide
CID 135407879
N'-amino-4-fluorobenzenecarboximidamide;hydrochloride
CID 68690299
N'-methoxy-4-[4-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]phenyl]benzenecarboximidamide
CID 58478039
[(E)-[amino-(4-methylphenyl)methylidene]amino] acetate
CID 11401281
methyl (1E)-4-methylbenzenecarbohydrazonate
CID 55253274
N,N'-diamino-4-methylbenzenecarboximidamide
CID 15721498
N'-(4-cyanophenyl)-4-methylbenzenecarboximidamide
CID 12966223

Frequently Asked Questions

What is the IUPAC name of N'-amino-4-(4-methylphenyl)benzenecarboximidamide?
The IUPAC name of N'-amino-4-(4-methylphenyl)benzenecarboximidamide (CID 6860627) is N'-amino-4-(4-methylphenyl)benzenecarboximidamide.
What is the SMILES notation for N'-amino-4-(4-methylphenyl)benzenecarboximidamide?
The canonical SMILES for N'-amino-4-(4-methylphenyl)benzenecarboximidamide is Cc1ccc(-c2ccc(C(N)=NN)cc2)cc1.
What is the InChIKey of N'-amino-4-(4-methylphenyl)benzenecarboximidamide?
The InChIKey is DKUMFPWSHAXXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c1-10-2-4-11(5-3-10)12-6-8-13(9-7-12)14(15)17-16/h2-9H,16H2,1H3,(H2,15,17).
What are the key properties of N'-amino-4-(4-methylphenyl)benzenecarboximidamide?
N'-amino-4-(4-methylphenyl)benzenecarboximidamide has a molecular weight of 225.29 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-4-(4-methylphenyl)benzenecarboximidamide is sourced from PubChem (CID 6860627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).