azane;2-(4-methylphenyl)guanidine

C8H14N4 — CID 172751004

IUPACazane;2-(4-methylphenyl)guanidine
SMILESCc1ccc(N=C(N)N)cc1.N
InChIInChI=1S/C8H11N3.H3N/c1-6-2-4-7(5-3-6)11-8(9)10;/h2-5H,1H3,(H4,9,10,11);1H3
InChIKeyKJHIGGMMVRDVAZ-UHFFFAOYSA-N
MW166.23 g/mol
LogP1.06
Rot. Bonds1

About azane;2-(4-methylphenyl)guanidine

azane;2-(4-methylphenyl)guanidine (PubChem CID 172751004) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is azane;2-(4-methylphenyl)guanidine.

Molecular Properties

Compound Nameazane;2-(4-methylphenyl)guanidine
PubChem CID172751004
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Nameazane;2-(4-methylphenyl)guanidine
SMILESCc1ccc(N=C(N)N)cc1.N
InChIInChI=1S/C8H11N3.H3N/c1-6-2-4-7(5-3-6)11-8(9)10;/h2-5H,1H3,(H4,9,10,11);1H3
InChIKeyKJHIGGMMVRDVAZ-UHFFFAOYSA-N
XLogP1.06
TPSA99.40 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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
2-[4-(4-methylphenyl)sulfanylphenyl]guanidine
CID 3012610
2-(4-methylphenyl)guanidine;nitric acid
CID 12910055
N'-[N'-(4-methylphenyl)carbamimidoyl]ethanimidamide
CID 142053429
[N'-(4-methylphenyl)carbamimidoyl]urea
CID 135406039
2-(4-methoxyphenyl)guanidine;hydrochloride
CID 22594132
2-[4-(dimethylamino)phenyl]guanidine;dihydrochloride
CID 52944141
(4-methylphenyl) N-[[4-(diaminomethylideneamino)phenyl]methyl]carbamate
CID 58849415
N'-(4-cyanophenyl)-4-methylbenzenecarboximidamide
CID 12966223
N'-(4-methylphenyl)piperidine-1-carboximidamide
CID 11310498
bis(2-phenylguanidine);dihydrochloride
CID 160984545
4-(diaminomethylideneamino)benzamide
CID 12818149

Frequently Asked Questions

What is the IUPAC name of azane;2-(4-methylphenyl)guanidine?
The IUPAC name of azane;2-(4-methylphenyl)guanidine (CID 172751004) is azane;2-(4-methylphenyl)guanidine.
What is the SMILES notation for azane;2-(4-methylphenyl)guanidine?
The canonical SMILES for azane;2-(4-methylphenyl)guanidine is Cc1ccc(N=C(N)N)cc1.N.
What is the InChIKey of azane;2-(4-methylphenyl)guanidine?
The InChIKey is KJHIGGMMVRDVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3.H3N/c1-6-2-4-7(5-3-6)11-8(9)10;/h2-5H,1H3,(H4,9,10,11);1H3.
What are the key properties of azane;2-(4-methylphenyl)guanidine?
azane;2-(4-methylphenyl)guanidine has a molecular weight of 166.23 g/mol, XLogP of 1.06, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-(4-methylphenyl)guanidine is sourced from PubChem (CID 172751004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).