N,N'-diamino-N,4-dimethylbenzenecarboximidamide

C9H14N4 — CID 15721514

IUPACN,N'-diamino-N,4-dimethylbenzenecarboximidamide
SMILESCc1ccc(/C(=N/N)N(C)N)cc1
InChIInChI=1S/C9H14N4/c1-7-3-5-8(6-4-7)9(12-10)13(2)11/h3-6H,10-11H2,1-2H3/b12-9-
InChIKeyWFPYIPAZRSOTMM-XFXZXTDPSA-N
MW178.24 g/mol
LogP0.42
Rot. Bonds1

About N,N'-diamino-N,4-dimethylbenzenecarboximidamide

N,N'-diamino-N,4-dimethylbenzenecarboximidamide (PubChem CID 15721514) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is N,N'-diamino-N,4-dimethylbenzenecarboximidamide.

Molecular Properties

Compound NameN,N'-diamino-N,4-dimethylbenzenecarboximidamide
PubChem CID15721514
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC NameN,N'-diamino-N,4-dimethylbenzenecarboximidamide
SMILESCc1ccc(/C(=N/N)N(C)N)cc1
InChIInChI=1S/C9H14N4/c1-7-3-5-8(6-4-7)9(12-10)13(2)11/h3-6H,10-11H2,1-2H3/b12-9-
InChIKeyWFPYIPAZRSOTMM-XFXZXTDPSA-N
XLogP0.42
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(4-methylphenyl)benzenecarboximidamide
CID 6860627
methyl (1E)-4-methylbenzenecarbohydrazonate
CID 55253274
N,N,N'-trichloro-4-methylbenzenecarboximidamide
CID 11630059
N,N'-diamino-4-methylbenzenecarboximidamide
CID 15721498
(Z)-N',N'-dimethyl-1-(4-methylphenyl)ethene-1,2-diamine
CID 149258743
N-carbamoyl-N,4-dimethylbenzamide
CID 69411182
(NZ)-N-[2-amino-2-methyl-1-(4-methylphenyl)propylidene]hydroxylamine
CID 12586213
2-[(E)-C-(4-methylphenyl)carbonohydrazonoyl]aniline
CID 172940611
N-benzoyl-4-methylbenzohydrazide
CID 174274321
ethane;1-methyl-4-[3-(4-methylphenyl)but-2-en-2-yl]benzene
CID 91583110
N-methyl-2-(4-methylphenyl)propanehydrazide
CID 116845714

Frequently Asked Questions

What is the IUPAC name of N,N'-diamino-N,4-dimethylbenzenecarboximidamide?
The IUPAC name of N,N'-diamino-N,4-dimethylbenzenecarboximidamide (CID 15721514) is N,N'-diamino-N,4-dimethylbenzenecarboximidamide.
What is the SMILES notation for N,N'-diamino-N,4-dimethylbenzenecarboximidamide?
The canonical SMILES for N,N'-diamino-N,4-dimethylbenzenecarboximidamide is Cc1ccc(/C(=N/N)N(C)N)cc1.
What is the InChIKey of N,N'-diamino-N,4-dimethylbenzenecarboximidamide?
The InChIKey is WFPYIPAZRSOTMM-XFXZXTDPSA-N. The full InChI is InChI=1S/C9H14N4/c1-7-3-5-8(6-4-7)9(12-10)13(2)11/h3-6H,10-11H2,1-2H3/b12-9-.
What are the key properties of N,N'-diamino-N,4-dimethylbenzenecarboximidamide?
N,N'-diamino-N,4-dimethylbenzenecarboximidamide has a molecular weight of 178.24 g/mol, XLogP of 0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diamino-N,4-dimethylbenzenecarboximidamide is sourced from PubChem (CID 15721514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).