1-[2-(3,5-dimethylphenyl)ethyl]-2-propylguanidine

C14H23N3 — CID 111818678

IUPAC1-[2-(3,5-dimethylphenyl)ethyl]-2-propylguanidine
SMILESCCC/N=C(\N)NCCc1cc(C)cc(C)c1
InChIInChI=1S/C14H23N3/c1-4-6-16-14(15)17-7-5-13-9-11(2)8-12(3)10-13/h8-10H,4-7H2,1-3H3,(H3,15,16,17)
InChIKeyKONUOTTZIKNPKF-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.16
Rot. Bonds5

About 1-[2-(3,5-dimethylphenyl)ethyl]-2-propylguanidine

1-[2-(3,5-dimethylphenyl)ethyl]-2-propylguanidine (PubChem CID 111818678) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-[2-(3,5-dimethylphenyl)ethyl]-2-propylguanidine.

Molecular Properties

Compound Name1-[2-(3,5-dimethylphenyl)ethyl]-2-propylguanidine
PubChem CID111818678
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name1-[2-(3,5-dimethylphenyl)ethyl]-2-propylguanidine
SMILESCCC/N=C(\N)NCCc1cc(C)cc(C)c1
InChIInChI=1S/C14H23N3/c1-4-6-16-14(15)17-7-5-13-9-11(2)8-12(3)10-13/h8-10H,4-7H2,1-3H3,(H3,15,16,17)
InChIKeyKONUOTTZIKNPKF-UHFFFAOYSA-N
XLogP2.16
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.16
H-Bond Donors ≤ 52
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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Related Compounds

1-[2-(4-chlorophenyl)ethyl]-2-propylguanidine
CID 62362687
1-[2-(4-methylsulfonylphenyl)ethyl]-2-propylguanidine;hydroiodide
CID 111815183
2-[2-(2,4-dimethylphenyl)ethyl]-1-(2-phenylethyl)guanidine
CID 111075809
2-butyl-1-[2-(3-methoxy-4-methylphenyl)ethyl]guanidine
CID 111589993
2-propyl-1-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine;hydroiodide
CID 111806555
2-butyl-1-[2-(3,4-dimethoxyphenyl)ethyl]guanidine
CID 111023163
2-octyl-1-(2-phenylethyl)guanidine
CID 10903026
2-hexyl-1-(2-phenylethyl)guanidine
CID 111022881
1-[2-(2,6-dichlorophenyl)ethyl]-2-propylguanidine;hydroiodide
CID 111078654
2-(3-methylbutyl)-1-[2-(4-methylphenyl)ethyl]guanidine
CID 111814100
2-butyl-1-[2-(4-hydroxy-3-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111800539
1-[2-(3,5-dimethylphenyl)ethyl]-3-ethyl-2-methylguanidine
CID 111648670

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethylphenyl)ethyl]-2-propylguanidine?
The IUPAC name of 1-[2-(3,5-dimethylphenyl)ethyl]-2-propylguanidine (CID 111818678) is 1-[2-(3,5-dimethylphenyl)ethyl]-2-propylguanidine.
What is the SMILES notation for 1-[2-(3,5-dimethylphenyl)ethyl]-2-propylguanidine?
The canonical SMILES for 1-[2-(3,5-dimethylphenyl)ethyl]-2-propylguanidine is CCC/N=C(\N)NCCc1cc(C)cc(C)c1.
What is the InChIKey of 1-[2-(3,5-dimethylphenyl)ethyl]-2-propylguanidine?
The InChIKey is KONUOTTZIKNPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-4-6-16-14(15)17-7-5-13-9-11(2)8-12(3)10-13/h8-10H,4-7H2,1-3H3,(H3,15,16,17).
What are the key properties of 1-[2-(3,5-dimethylphenyl)ethyl]-2-propylguanidine?
1-[2-(3,5-dimethylphenyl)ethyl]-2-propylguanidine has a molecular weight of 233.36 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethylphenyl)ethyl]-2-propylguanidine is sourced from PubChem (CID 111818678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).