2-methyl-1-(2-methyl-2-phenylpropyl)-3-(2-prop-2-enylsulfanylethyl)guanidine

C17H27N3S — CID 111948705

IUPAC2-methyl-1-(2-methyl-2-phenylpropyl)-3-(2-prop-2-enylsulfanylethyl)guanidine
SMILESC=CCSCCN/C(=N\C)NCC(C)(C)c1ccccc1
InChIInChI=1S/C17H27N3S/c1-5-12-21-13-11-19-16(18-4)20-14-17(2,3)15-9-7-6-8-10-15/h5-10H,1,11-14H2,2-4H3,(H2,18,19,20)
InChIKeyMVESQVGNXFKWAW-UHFFFAOYSA-N
MW305.49 g/mol
LogP3.05
Rot. Bonds8

About 2-methyl-1-(2-methyl-2-phenylpropyl)-3-(2-prop-2-enylsulfanylethyl)guanidine

2-methyl-1-(2-methyl-2-phenylpropyl)-3-(2-prop-2-enylsulfanylethyl)guanidine (PubChem CID 111948705) has the molecular formula C17H27N3S and a molecular weight of 305.49 g/mol. Its IUPAC name is 2-methyl-1-(2-methyl-2-phenylpropyl)-3-(2-prop-2-enylsulfanylethyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-(2-methyl-2-phenylpropyl)-3-(2-prop-2-enylsulfanylethyl)guanidine
PubChem CID111948705
Molecular FormulaC17H27N3S
Molecular Weight305.49 g/mol
Exact Mass305.19
IUPAC Name2-methyl-1-(2-methyl-2-phenylpropyl)-3-(2-prop-2-enylsulfanylethyl)guanidine
SMILESC=CCSCCN/C(=N\C)NCC(C)(C)c1ccccc1
InChIInChI=1S/C17H27N3S/c1-5-12-21-13-11-19-16(18-4)20-14-17(2,3)15-9-7-6-8-10-15/h5-10H,1,11-14H2,2-4H3,(H2,18,19,20)
InChIKeyMVESQVGNXFKWAW-UHFFFAOYSA-N
XLogP3.05
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-methyl-1-(2-methyl-2-phenylpropyl)-3-(2-prop-2-enylsulfanylethyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1-(2-prop-2-enylsulfanylethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]guanidine
CID 111267383
1-[(2-chlorophenyl)methyl]-2-methyl-3-(2-prop-2-enylsulfanylethyl)guanidine
CID 111175071
2-methyl-1-[(1-phenylcyclopropyl)methyl]-3-(2-prop-2-enylsulfanylethyl)guanidine;hydroiodide
CID 111857001
2-methyl-N-[2-[[N'-methyl-N-(2-methyl-2-phenylpropyl)carbamimidoyl]amino]ethyl]propanamide
CID 111928546
1-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-(2-prop-2-enylsulfanylethyl)guanidine;hydroiodide
CID 111340154
2-methyl-1-(2-methyl-2-phenylpropyl)-3-(2-pyridin-2-ylethyl)guanidine
CID 111194098
2-methyl-1-(2-methyl-2-phenylpropyl)-3-(3-propan-2-yloxypropyl)guanidine
CID 111246773
1-butyl-2-methyl-3-(2-prop-2-enylsulfanylethyl)guanidine;hydroiodide
CID 111151269
2-methyl-1-[(3-methylphenyl)methyl]-3-(2-prop-2-enylsulfanylethyl)guanidine;hydroiodide
CID 111901090
1-[3-(benzenesulfonyl)propyl]-2-methyl-3-(2-methyl-2-phenylpropyl)guanidine
CID 111948027
1-[3-(ethylsulfonylamino)propyl]-2-methyl-3-(2-methyl-2-phenylpropyl)guanidine
CID 111948049
1-[3-(methanesulfonamido)propyl]-2-methyl-3-(2-methyl-2-phenylpropyl)guanidine;hydroiodide
CID 111948754

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methyl-2-phenylpropyl)-3-(2-prop-2-enylsulfanylethyl)guanidine?
The IUPAC name of 2-methyl-1-(2-methyl-2-phenylpropyl)-3-(2-prop-2-enylsulfanylethyl)guanidine (CID 111948705) is 2-methyl-1-(2-methyl-2-phenylpropyl)-3-(2-prop-2-enylsulfanylethyl)guanidine.
What is the SMILES notation for 2-methyl-1-(2-methyl-2-phenylpropyl)-3-(2-prop-2-enylsulfanylethyl)guanidine?
The canonical SMILES for 2-methyl-1-(2-methyl-2-phenylpropyl)-3-(2-prop-2-enylsulfanylethyl)guanidine is C=CCSCCN/C(=N\C)NCC(C)(C)c1ccccc1.
What is the InChIKey of 2-methyl-1-(2-methyl-2-phenylpropyl)-3-(2-prop-2-enylsulfanylethyl)guanidine?
The InChIKey is MVESQVGNXFKWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3S/c1-5-12-21-13-11-19-16(18-4)20-14-17(2,3)15-9-7-6-8-10-15/h5-10H,1,11-14H2,2-4H3,(H2,18,19,20).
What are the key properties of 2-methyl-1-(2-methyl-2-phenylpropyl)-3-(2-prop-2-enylsulfanylethyl)guanidine?
2-methyl-1-(2-methyl-2-phenylpropyl)-3-(2-prop-2-enylsulfanylethyl)guanidine has a molecular weight of 305.49 g/mol, XLogP of 3.05, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methyl-2-phenylpropyl)-3-(2-prop-2-enylsulfanylethyl)guanidine is sourced from PubChem (CID 111948705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).