1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-2-phenylguanidine

C15H24N4 — CID 105418714

IUPAC1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-2-phenylguanidine
SMILESCN(CC1(N(C)C)CCC1)/C(N)=N/c1ccccc1
InChIInChI=1S/C15H24N4/c1-18(2)15(10-7-11-15)12-19(3)14(16)17-13-8-5-4-6-9-13/h4-6,8-9H,7,10-12H2,1-3H3,(H2,16,17)
InChIKeyVIJQUPVTKWJXIU-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.05
Rot. Bonds4

About 1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-2-phenylguanidine

1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-2-phenylguanidine (PubChem CID 105418714) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-2-phenylguanidine.

Molecular Properties

Compound Name1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-2-phenylguanidine
PubChem CID105418714
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-2-phenylguanidine
SMILESCN(CC1(N(C)C)CCC1)/C(N)=N/c1ccccc1
InChIInChI=1S/C15H24N4/c1-18(2)15(10-7-11-15)12-19(3)14(16)17-13-8-5-4-6-9-13/h4-6,8-9H,7,10-12H2,1-3H3,(H2,16,17)
InChIKeyVIJQUPVTKWJXIU-UHFFFAOYSA-N
XLogP2.05
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.05
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-2-phenylguanidine?
The IUPAC name of 1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-2-phenylguanidine (CID 105418714) is 1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-2-phenylguanidine.
What is the SMILES notation for 1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-2-phenylguanidine?
The canonical SMILES for 1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-2-phenylguanidine is CN(CC1(N(C)C)CCC1)/C(N)=N/c1ccccc1.
What is the InChIKey of 1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-2-phenylguanidine?
The InChIKey is VIJQUPVTKWJXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-18(2)15(10-7-11-15)12-19(3)14(16)17-13-8-5-4-6-9-13/h4-6,8-9H,7,10-12H2,1-3H3,(H2,16,17).
What are the key properties of 1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-2-phenylguanidine?
1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-2-phenylguanidine has a molecular weight of 260.38 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-2-phenylguanidine is sourced from PubChem (CID 105418714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).