1,1-bis(2-methylphenyl)guanidine

C15H17N3 — CID 18995341

IUPAC1,1-bis(2-methylphenyl)guanidine
SMILES[H]/N=C(\N)N(c1ccccc1C)c1ccccc1C
InChIInChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)18(15(16)17)14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17)
InChIKeySERREGHQSNHRJY-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.34
Rot. Bonds2

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

1,1-bis(2-methylphenyl)guanidine (PubChem CID 18995341) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1,1-bis(2-methylphenyl)guanidine.

Molecular Properties

Compound Name1,1-bis(2-methylphenyl)guanidine
PubChem CID18995341
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name1,1-bis(2-methylphenyl)guanidine
SMILES[H]/N=C(\N)N(c1ccccc1C)c1ccccc1C
InChIInChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)18(15(16)17)14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17)
InChIKeySERREGHQSNHRJY-UHFFFAOYSA-N
XLogP3.34
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.34
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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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(2-methylphenyl)guanidine?
The IUPAC name of 1,1-bis(2-methylphenyl)guanidine (CID 18995341) is 1,1-bis(2-methylphenyl)guanidine.
What is the SMILES notation for 1,1-bis(2-methylphenyl)guanidine?
The canonical SMILES for 1,1-bis(2-methylphenyl)guanidine is [H]/N=C(\N)N(c1ccccc1C)c1ccccc1C.
What is the InChIKey of 1,1-bis(2-methylphenyl)guanidine?
The InChIKey is SERREGHQSNHRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)18(15(16)17)14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17).
What are the key properties of 1,1-bis(2-methylphenyl)guanidine?
1,1-bis(2-methylphenyl)guanidine has a molecular weight of 239.32 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(2-methylphenyl)guanidine is sourced from PubChem (CID 18995341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).