ethane;N'-[methyl-[N'-methyl-N-(4-methylphenyl)carbamimidoyl]amino]methanimidamide

C13H23N5 — CID 142995163

IUPACethane;N'-[methyl-[N'-methyl-N-(4-methylphenyl)carbamimidoyl]amino]methanimidamide
SMILESC/N=C(/Nc1ccc(C)cc1)N(C)/N=C/N.CC
InChIInChI=1S/C11H17N5.C2H6/c1-9-4-6-10(7-5-9)15-11(13-2)16(3)14-8-12;1-2/h4-8H,1-3H3,(H2,12,14)(H,13,15);1-2H3
InChIKeyZROGLDJRUQFPJW-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.25
Rot. Bonds2

About ethane;N'-[methyl-[N'-methyl-N-(4-methylphenyl)carbamimidoyl]amino]methanimidamide

ethane;N'-[methyl-[N'-methyl-N-(4-methylphenyl)carbamimidoyl]amino]methanimidamide (PubChem CID 142995163) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is ethane;N'-[methyl-[N'-methyl-N-(4-methylphenyl)carbamimidoyl]amino]methanimidamide.

Molecular Properties

Compound Nameethane;N'-[methyl-[N'-methyl-N-(4-methylphenyl)carbamimidoyl]amino]methanimidamide
PubChem CID142995163
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Nameethane;N'-[methyl-[N'-methyl-N-(4-methylphenyl)carbamimidoyl]amino]methanimidamide
SMILESC/N=C(/Nc1ccc(C)cc1)N(C)/N=C/N.CC
InChIInChI=1S/C11H17N5.C2H6/c1-9-4-6-10(7-5-9)15-11(13-2)16(3)14-8-12;1-2/h4-8H,1-3H3,(H2,12,14)(H,13,15);1-2H3
InChIKeyZROGLDJRUQFPJW-UHFFFAOYSA-N
XLogP2.25
TPSA66.01 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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

(E)-1-N'-(4-methylphenyl)ethene-1,1,2-triamine
CID 142512509
N-buta-1,3-dien-2-yl-4-methylaniline;ethane
CID 143234838
methanamine;N-(4-methylphenyl)acetamide
CID 142152295
2-bromo-N-(4-methylphenyl)acetamide;ethane
CID 143583882
4-bromo-N'-methyl-N-(4-methylphenyl)benzenecarboximidamide
CID 3326849
N-(4-methylphenyl)acetamide
CID 7684
3-[[amino-(4-methylanilino)methylidene]amino]-N,N-dimethylpropanamide
CID 111068206
N-buta-1,3-dien-2-yl-4-methylaniline
CID 143234839
ethane;ethyl N-(4-methylphenyl)carbamate
CID 143199598
2-tert-butyl-1-(4-methylphenyl)guanidine
CID 62379997
1-[4-(dimethylamino)phenyl]-2-methylguanidine
CID 62381292
N-(difluoromethyl)-4-methylaniline;ethane
CID 170790266

Frequently Asked Questions

What is the IUPAC name of ethane;N'-[methyl-[N'-methyl-N-(4-methylphenyl)carbamimidoyl]amino]methanimidamide?
The IUPAC name of ethane;N'-[methyl-[N'-methyl-N-(4-methylphenyl)carbamimidoyl]amino]methanimidamide (CID 142995163) is ethane;N'-[methyl-[N'-methyl-N-(4-methylphenyl)carbamimidoyl]amino]methanimidamide.
What is the SMILES notation for ethane;N'-[methyl-[N'-methyl-N-(4-methylphenyl)carbamimidoyl]amino]methanimidamide?
The canonical SMILES for ethane;N'-[methyl-[N'-methyl-N-(4-methylphenyl)carbamimidoyl]amino]methanimidamide is C/N=C(/Nc1ccc(C)cc1)N(C)/N=C/N.CC.
What is the InChIKey of ethane;N'-[methyl-[N'-methyl-N-(4-methylphenyl)carbamimidoyl]amino]methanimidamide?
The InChIKey is ZROGLDJRUQFPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5.C2H6/c1-9-4-6-10(7-5-9)15-11(13-2)16(3)14-8-12;1-2/h4-8H,1-3H3,(H2,12,14)(H,13,15);1-2H3.
What are the key properties of ethane;N'-[methyl-[N'-methyl-N-(4-methylphenyl)carbamimidoyl]amino]methanimidamide?
ethane;N'-[methyl-[N'-methyl-N-(4-methylphenyl)carbamimidoyl]amino]methanimidamide has a molecular weight of 249.36 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-[methyl-[N'-methyl-N-(4-methylphenyl)carbamimidoyl]amino]methanimidamide is sourced from PubChem (CID 142995163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).