1-cyclopropyl-1-methyl-2-[3-(2-methylphenyl)cyclobutyl]guanidine

C16H23N3 — CID 120679694

IUPAC1-cyclopropyl-1-methyl-2-[3-(2-methylphenyl)cyclobutyl]guanidine
SMILESCc1ccccc1C1CC(/N=C(\N)N(C)C2CC2)C1
InChIInChI=1S/C16H23N3/c1-11-5-3-4-6-15(11)12-9-13(10-12)18-16(17)19(2)14-7-8-14/h3-6,12-14H,7-10H2,1-2H3,(H2,17,18)
InChIKeyOCINUONKIXKLGA-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.65
Rot. Bonds3

About 1-cyclopropyl-1-methyl-2-[3-(2-methylphenyl)cyclobutyl]guanidine

1-cyclopropyl-1-methyl-2-[3-(2-methylphenyl)cyclobutyl]guanidine (PubChem CID 120679694) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-cyclopropyl-1-methyl-2-[3-(2-methylphenyl)cyclobutyl]guanidine.

Molecular Properties

Compound Name1-cyclopropyl-1-methyl-2-[3-(2-methylphenyl)cyclobutyl]guanidine
PubChem CID120679694
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-cyclopropyl-1-methyl-2-[3-(2-methylphenyl)cyclobutyl]guanidine
SMILESCc1ccccc1C1CC(/N=C(\N)N(C)C2CC2)C1
InChIInChI=1S/C16H23N3/c1-11-5-3-4-6-15(11)12-9-13(10-12)18-16(17)19(2)14-7-8-14/h3-6,12-14H,7-10H2,1-2H3,(H2,17,18)
InChIKeyOCINUONKIXKLGA-UHFFFAOYSA-N
XLogP2.65
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.65
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-cyclopropyl-1-methyl-2-[3-(2-methylphenyl)cyclobutyl]guanidine?
The IUPAC name of 1-cyclopropyl-1-methyl-2-[3-(2-methylphenyl)cyclobutyl]guanidine (CID 120679694) is 1-cyclopropyl-1-methyl-2-[3-(2-methylphenyl)cyclobutyl]guanidine.
What is the SMILES notation for 1-cyclopropyl-1-methyl-2-[3-(2-methylphenyl)cyclobutyl]guanidine?
The canonical SMILES for 1-cyclopropyl-1-methyl-2-[3-(2-methylphenyl)cyclobutyl]guanidine is Cc1ccccc1C1CC(/N=C(\N)N(C)C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-1-methyl-2-[3-(2-methylphenyl)cyclobutyl]guanidine?
The InChIKey is OCINUONKIXKLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-11-5-3-4-6-15(11)12-9-13(10-12)18-16(17)19(2)14-7-8-14/h3-6,12-14H,7-10H2,1-2H3,(H2,17,18).
What are the key properties of 1-cyclopropyl-1-methyl-2-[3-(2-methylphenyl)cyclobutyl]guanidine?
1-cyclopropyl-1-methyl-2-[3-(2-methylphenyl)cyclobutyl]guanidine has a molecular weight of 257.38 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-methyl-2-[3-(2-methylphenyl)cyclobutyl]guanidine is sourced from PubChem (CID 120679694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).