N'-[N'-(4-methylphenyl)carbamimidoyl]ethanimidamide

C10H14N4 — CID 142053429

IUPACN'-[N'-(4-methylphenyl)carbamimidoyl]ethanimidamide
SMILESC/C(N)=N/C(N)=N/c1ccc(C)cc1
InChIInChI=1S/C10H14N4/c1-7-3-5-9(6-4-7)14-10(12)13-8(2)11/h3-6H,1-2H3,(H4,11,12,13,14)
InChIKeyRZTVQVZJEXIQBC-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.32
Rot. Bonds1

About N'-[N'-(4-methylphenyl)carbamimidoyl]ethanimidamide

N'-[N'-(4-methylphenyl)carbamimidoyl]ethanimidamide (PubChem CID 142053429) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is N'-[N'-(4-methylphenyl)carbamimidoyl]ethanimidamide.

Molecular Properties

Compound NameN'-[N'-(4-methylphenyl)carbamimidoyl]ethanimidamide
PubChem CID142053429
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC NameN'-[N'-(4-methylphenyl)carbamimidoyl]ethanimidamide
SMILESC/C(N)=N/C(N)=N/c1ccc(C)cc1
InChIInChI=1S/C10H14N4/c1-7-3-5-9(6-4-7)14-10(12)13-8(2)11/h3-6H,1-2H3,(H4,11,12,13,14)
InChIKeyRZTVQVZJEXIQBC-UHFFFAOYSA-N
XLogP1.32
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylphenyl)guanidine;hydrochloride
CID 3028500
azane;2-(4-methylphenyl)guanidine
CID 172751004
N'-[N'-(4-methylphenyl)carbamimidoyl]-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 142722384
2-[4-(4-methylphenyl)sulfanylphenyl]guanidine
CID 3012610
[N'-(4-methylphenyl)carbamimidoyl]urea
CID 135406039
2-(4-methylphenyl)guanidine;nitric acid
CID 12910055
2-(4-bromophenyl)-1-(diaminomethylidene)guanidine
CID 29665
1-(diaminomethylidene)-2-[4-(6-methyl-2-pyridinyl)phenyl]guanidine
CID 168602688
1-(diaminomethylidene)-2-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]guanidine
CID 168602006
N'-(4-methylphenyl)piperidine-1-carboximidamide
CID 11310498
1-(diaminomethylidene)-2-[4-(1-hydroxyethyl)phenyl]guanidine
CID 168601889
2-[N'-(4-chlorophenyl)carbamimidoyl]-1,1-dimethylguanidine
CID 123842816

Frequently Asked Questions

What is the IUPAC name of N'-[N'-(4-methylphenyl)carbamimidoyl]ethanimidamide?
The IUPAC name of N'-[N'-(4-methylphenyl)carbamimidoyl]ethanimidamide (CID 142053429) is N'-[N'-(4-methylphenyl)carbamimidoyl]ethanimidamide.
What is the SMILES notation for N'-[N'-(4-methylphenyl)carbamimidoyl]ethanimidamide?
The canonical SMILES for N'-[N'-(4-methylphenyl)carbamimidoyl]ethanimidamide is C/C(N)=N/C(N)=N/c1ccc(C)cc1.
What is the InChIKey of N'-[N'-(4-methylphenyl)carbamimidoyl]ethanimidamide?
The InChIKey is RZTVQVZJEXIQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-7-3-5-9(6-4-7)14-10(12)13-8(2)11/h3-6H,1-2H3,(H4,11,12,13,14).
What are the key properties of N'-[N'-(4-methylphenyl)carbamimidoyl]ethanimidamide?
N'-[N'-(4-methylphenyl)carbamimidoyl]ethanimidamide has a molecular weight of 190.25 g/mol, XLogP of 1.32, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[N'-(4-methylphenyl)carbamimidoyl]ethanimidamide is sourced from PubChem (CID 142053429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).