1-methyl-1-naphthalen-1-yl-2-(2-propan-2-ylphenyl)guanidine

C21H23N3 — CID 10267880

IUPAC1-methyl-1-naphthalen-1-yl-2-(2-propan-2-ylphenyl)guanidine
SMILESCC(C)c1ccccc1/N=C(\N)N(C)c1cccc2ccccc12
InChIInChI=1S/C21H23N3/c1-15(2)17-11-6-7-13-19(17)23-21(22)24(3)20-14-8-10-16-9-4-5-12-18(16)20/h4-15H,1-3H3,(H2,22,23)
InChIKeyMHWCTGIUQCXCOA-UHFFFAOYSA-N
MW317.44 g/mol
LogP5.05
Rot. Bonds3

About 1-methyl-1-naphthalen-1-yl-2-(2-propan-2-ylphenyl)guanidine

1-methyl-1-naphthalen-1-yl-2-(2-propan-2-ylphenyl)guanidine (PubChem CID 10267880) has the molecular formula C21H23N3 and a molecular weight of 317.44 g/mol. Its IUPAC name is 1-methyl-1-naphthalen-1-yl-2-(2-propan-2-ylphenyl)guanidine.

Molecular Properties

Compound Name1-methyl-1-naphthalen-1-yl-2-(2-propan-2-ylphenyl)guanidine
PubChem CID10267880
Molecular FormulaC21H23N3
Molecular Weight317.44 g/mol
Exact Mass317.19
IUPAC Name1-methyl-1-naphthalen-1-yl-2-(2-propan-2-ylphenyl)guanidine
SMILESCC(C)c1ccccc1/N=C(\N)N(C)c1cccc2ccccc12
InChIInChI=1S/C21H23N3/c1-15(2)17-11-6-7-13-19(17)23-21(22)24(3)20-14-8-10-16-9-4-5-12-18(16)20/h4-15H,1-3H3,(H2,22,23)
InChIKeyMHWCTGIUQCXCOA-UHFFFAOYSA-N
XLogP5.05
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.44
LogP ≤ 55.05
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 1-methyl-1-naphthalen-1-yl-2-(2-propan-2-ylphenyl)guanidine?
The IUPAC name of 1-methyl-1-naphthalen-1-yl-2-(2-propan-2-ylphenyl)guanidine (CID 10267880) is 1-methyl-1-naphthalen-1-yl-2-(2-propan-2-ylphenyl)guanidine.
What is the SMILES notation for 1-methyl-1-naphthalen-1-yl-2-(2-propan-2-ylphenyl)guanidine?
The canonical SMILES for 1-methyl-1-naphthalen-1-yl-2-(2-propan-2-ylphenyl)guanidine is CC(C)c1ccccc1/N=C(\N)N(C)c1cccc2ccccc12.
What is the InChIKey of 1-methyl-1-naphthalen-1-yl-2-(2-propan-2-ylphenyl)guanidine?
The InChIKey is MHWCTGIUQCXCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3/c1-15(2)17-11-6-7-13-19(17)23-21(22)24(3)20-14-8-10-16-9-4-5-12-18(16)20/h4-15H,1-3H3,(H2,22,23).
What are the key properties of 1-methyl-1-naphthalen-1-yl-2-(2-propan-2-ylphenyl)guanidine?
1-methyl-1-naphthalen-1-yl-2-(2-propan-2-ylphenyl)guanidine has a molecular weight of 317.44 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-naphthalen-1-yl-2-(2-propan-2-ylphenyl)guanidine is sourced from PubChem (CID 10267880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).