1,2-bis(2-methylphenyl)guanidine;1,2-diphenylguanidine

C28H30N6 — CID 160707040

IUPAC1,2-bis(2-methylphenyl)guanidine;1,2-diphenylguanidine
SMILESCc1ccccc1/N=C(\N)Nc1ccccc1C.N/C(=N\c1ccccc1)Nc1ccccc1
InChIInChI=1S/C15H17N3.C13H13N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2;14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h3-10H,1-2H3,(H3,16,17,18);1-10H,(H3,14,15,16)
InChIKeyRRJADYVGQRYLJK-UHFFFAOYSA-N
MW450.59 g/mol
LogP6.11
Rot. Bonds4

About 1,2-bis(2-methylphenyl)guanidine;1,2-diphenylguanidine

1,2-bis(2-methylphenyl)guanidine;1,2-diphenylguanidine (PubChem CID 160707040) has the molecular formula C28H30N6 and a molecular weight of 450.59 g/mol. Its IUPAC name is 1,2-bis(2-methylphenyl)guanidine;1,2-diphenylguanidine.

Molecular Properties

Compound Name1,2-bis(2-methylphenyl)guanidine;1,2-diphenylguanidine
PubChem CID160707040
Molecular FormulaC28H30N6
Molecular Weight450.59 g/mol
Exact Mass450.25
IUPAC Name1,2-bis(2-methylphenyl)guanidine;1,2-diphenylguanidine
SMILESCc1ccccc1/N=C(\N)Nc1ccccc1C.N/C(=N\c1ccccc1)Nc1ccccc1
InChIInChI=1S/C15H17N3.C13H13N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2;14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h3-10H,1-2H3,(H3,16,17,18);1-10H,(H3,14,15,16)
InChIKeyRRJADYVGQRYLJK-UHFFFAOYSA-N
XLogP6.11
TPSA100.82 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.59
LogP ≤ 56.11
H-Bond Donors ≤ 54
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

acetic acid;1,2-bis(2-methylphenyl)guanidine
CID 160854655
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CID 158115670
CID 158115670
zinc;1,2-diphenylguanidine;oxygen(2-);sulfane;hydrate
CID 172780752
1,2-bis(2-methylphenyl)guanidine;N,N-dimethyldodecan-1-amine;guanidine;N-octyloctan-1-amine
CID 160780504
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CID 3332745
N,N'-bis(2-methylphenyl)-3-phenylprop-2-ynimidamide
CID 122216328
2-(2-bromo-3-methylphenyl)-1-naphthalen-1-ylguanidine
CID 139844863
2-methyl-N-[(E)-4-(2-methylphenyl)iminopent-2-en-2-yl]aniline
CID 23578391
1-amino-1,2,3-tris(2-methylphenyl)guanidine
CID 67749783
N-(4-bromophenyl)-N'-(2-methylphenyl)benzenecarboximidamide
CID 4779287
2-[(4S)-2-[[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-methylphenyl)acetamide
CID 29158251

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(2-methylphenyl)guanidine;1,2-diphenylguanidine?
The IUPAC name of 1,2-bis(2-methylphenyl)guanidine;1,2-diphenylguanidine (CID 160707040) is 1,2-bis(2-methylphenyl)guanidine;1,2-diphenylguanidine.
What is the SMILES notation for 1,2-bis(2-methylphenyl)guanidine;1,2-diphenylguanidine?
The canonical SMILES for 1,2-bis(2-methylphenyl)guanidine;1,2-diphenylguanidine is Cc1ccccc1/N=C(\N)Nc1ccccc1C.N/C(=N\c1ccccc1)Nc1ccccc1.
What is the InChIKey of 1,2-bis(2-methylphenyl)guanidine;1,2-diphenylguanidine?
The InChIKey is RRJADYVGQRYLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3.C13H13N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2;14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h3-10H,1-2H3,(H3,16,17,18);1-10H,(H3,14,15,16).
What are the key properties of 1,2-bis(2-methylphenyl)guanidine;1,2-diphenylguanidine?
1,2-bis(2-methylphenyl)guanidine;1,2-diphenylguanidine has a molecular weight of 450.59 g/mol, XLogP of 6.11, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(2-methylphenyl)guanidine;1,2-diphenylguanidine is sourced from PubChem (CID 160707040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).