1,2-dimethyl-3-[[2-(3-methylbutoxy)phenyl]methyl]guanidine

C15H25N3O — CID 75493857

IUPAC1,2-dimethyl-3-[[2-(3-methylbutoxy)phenyl]methyl]guanidine
SMILESC/N=C(\NC)NCc1ccccc1OCCC(C)C
InChIInChI=1S/C15H25N3O/c1-12(2)9-10-19-14-8-6-5-7-13(14)11-18-15(16-3)17-4/h5-8,12H,9-11H2,1-4H3,(H2,16,17,18)
InChIKeyANHIGHQMWAZENL-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.41
Rot. Bonds6

About 1,2-dimethyl-3-[[2-(3-methylbutoxy)phenyl]methyl]guanidine

1,2-dimethyl-3-[[2-(3-methylbutoxy)phenyl]methyl]guanidine (PubChem CID 75493857) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1,2-dimethyl-3-[[2-(3-methylbutoxy)phenyl]methyl]guanidine.

Molecular Properties

Compound Name1,2-dimethyl-3-[[2-(3-methylbutoxy)phenyl]methyl]guanidine
PubChem CID75493857
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1,2-dimethyl-3-[[2-(3-methylbutoxy)phenyl]methyl]guanidine
SMILESC/N=C(\NC)NCc1ccccc1OCCC(C)C
InChIInChI=1S/C15H25N3O/c1-12(2)9-10-19-14-8-6-5-7-13(14)11-18-15(16-3)17-4/h5-8,12H,9-11H2,1-4H3,(H2,16,17,18)
InChIKeyANHIGHQMWAZENL-UHFFFAOYSA-N
XLogP2.41
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.41
H-Bond Donors ≤ 52
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 1,2-dimethyl-3-[[2-(3-methylbutoxy)phenyl]methyl]guanidine?
The IUPAC name of 1,2-dimethyl-3-[[2-(3-methylbutoxy)phenyl]methyl]guanidine (CID 75493857) is 1,2-dimethyl-3-[[2-(3-methylbutoxy)phenyl]methyl]guanidine.
What is the SMILES notation for 1,2-dimethyl-3-[[2-(3-methylbutoxy)phenyl]methyl]guanidine?
The canonical SMILES for 1,2-dimethyl-3-[[2-(3-methylbutoxy)phenyl]methyl]guanidine is C/N=C(\NC)NCc1ccccc1OCCC(C)C.
What is the InChIKey of 1,2-dimethyl-3-[[2-(3-methylbutoxy)phenyl]methyl]guanidine?
The InChIKey is ANHIGHQMWAZENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12(2)9-10-19-14-8-6-5-7-13(14)11-18-15(16-3)17-4/h5-8,12H,9-11H2,1-4H3,(H2,16,17,18).
What are the key properties of 1,2-dimethyl-3-[[2-(3-methylbutoxy)phenyl]methyl]guanidine?
1,2-dimethyl-3-[[2-(3-methylbutoxy)phenyl]methyl]guanidine has a molecular weight of 263.38 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-[[2-(3-methylbutoxy)phenyl]methyl]guanidine is sourced from PubChem (CID 75493857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).