3-ethylidene-1,1-bis(4-methylphenyl)guanidine

C17H19N3 — CID 57050474

IUPAC3-ethylidene-1,1-bis(4-methylphenyl)guanidine
SMILES[H]/N=C(\N=CC)N(c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C17H19N3/c1-4-19-17(18)20(15-9-5-13(2)6-10-15)16-11-7-14(3)8-12-16/h4-12,18H,1-3H3/b18-17+,19-4?
InChIKeyZGSBDEBBWPHUFF-VTICOHSMSA-N
MW265.36 g/mol
LogP4.47
Rot. Bonds2

About 3-ethylidene-1,1-bis(4-methylphenyl)guanidine

3-ethylidene-1,1-bis(4-methylphenyl)guanidine (PubChem CID 57050474) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-ethylidene-1,1-bis(4-methylphenyl)guanidine.

Molecular Properties

Compound Name3-ethylidene-1,1-bis(4-methylphenyl)guanidine
PubChem CID57050474
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name3-ethylidene-1,1-bis(4-methylphenyl)guanidine
SMILES[H]/N=C(\N=CC)N(c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C17H19N3/c1-4-19-17(18)20(15-9-5-13(2)6-10-15)16-11-7-14(3)8-12-16/h4-12,18H,1-3H3/b18-17+,19-4?
InChIKeyZGSBDEBBWPHUFF-VTICOHSMSA-N
XLogP4.47
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.47
H-Bond Donors ≤ 51
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 3-ethylidene-1,1-bis(4-methylphenyl)guanidine?
The IUPAC name of 3-ethylidene-1,1-bis(4-methylphenyl)guanidine (CID 57050474) is 3-ethylidene-1,1-bis(4-methylphenyl)guanidine.
What is the SMILES notation for 3-ethylidene-1,1-bis(4-methylphenyl)guanidine?
The canonical SMILES for 3-ethylidene-1,1-bis(4-methylphenyl)guanidine is [H]/N=C(\N=CC)N(c1ccc(C)cc1)c1ccc(C)cc1.
What is the InChIKey of 3-ethylidene-1,1-bis(4-methylphenyl)guanidine?
The InChIKey is ZGSBDEBBWPHUFF-VTICOHSMSA-N. The full InChI is InChI=1S/C17H19N3/c1-4-19-17(18)20(15-9-5-13(2)6-10-15)16-11-7-14(3)8-12-16/h4-12,18H,1-3H3/b18-17+,19-4?.
What are the key properties of 3-ethylidene-1,1-bis(4-methylphenyl)guanidine?
3-ethylidene-1,1-bis(4-methylphenyl)guanidine has a molecular weight of 265.36 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylidene-1,1-bis(4-methylphenyl)guanidine is sourced from PubChem (CID 57050474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).