1-[2-(dimethylamino)-4-methylpentyl]-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine

C15H34N4S — CID 111611958

IUPAC1-[2-(dimethylamino)-4-methylpentyl]-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine
SMILESC/N=C(\NCC(CC(C)C)N(C)C)NCC(C)(C)SC
InChIInChI=1S/C15H34N4S/c1-12(2)9-13(19(6)7)10-17-14(16-5)18-11-15(3,4)20-8/h12-13H,9-11H2,1-8H3,(H2,16,17,18)
InChIKeyCQYFDLUDOUJNLA-UHFFFAOYSA-N
MW302.53 g/mol
LogP2.27
Rot. Bonds8

About 1-[2-(dimethylamino)-4-methylpentyl]-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine

1-[2-(dimethylamino)-4-methylpentyl]-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine (PubChem CID 111611958) has the molecular formula C15H34N4S and a molecular weight of 302.53 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-4-methylpentyl]-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine.

Molecular Properties

Compound Name1-[2-(dimethylamino)-4-methylpentyl]-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine
PubChem CID111611958
Molecular FormulaC15H34N4S
Molecular Weight302.53 g/mol
Exact Mass302.25
IUPAC Name1-[2-(dimethylamino)-4-methylpentyl]-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine
SMILESC/N=C(\NCC(CC(C)C)N(C)C)NCC(C)(C)SC
InChIInChI=1S/C15H34N4S/c1-12(2)9-13(19(6)7)10-17-14(16-5)18-11-15(3,4)20-8/h12-13H,9-11H2,1-8H3,(H2,16,17,18)
InChIKeyCQYFDLUDOUJNLA-UHFFFAOYSA-N
XLogP2.27
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.53
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2-(dimethylamino)-4-methylpentyl]-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)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

1-[2-(dimethylamino)-4-methylpentyl]-2-methyl-3-(3-methylbutyl)guanidine
CID 110979323
1-[2-(dimethylamino)-4-methylpentyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide
CID 110982962
methyl 2-methyl-3-[[N'-methyl-N-(2-methyl-2-methylsulfanylpropyl)carbamimidoyl]amino]propanoate
CID 111610006
1-[2-[butan-2-yl(methyl)amino]ethyl]-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine
CID 111611752
1-[2-[butan-2-yl(methyl)amino]ethyl]-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine;hydroiodide
CID 111611751
1-benzyl-3-[2-(dimethylamino)-4-methylpentyl]-2-methylguanidine;hydroiodide
CID 110954799
1-amino-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine
CID 104882473
1-[2-(dimethylamino)-4-methylpentyl]-3-(4-ethoxybutyl)-2-methylguanidine
CID 111945059
2-methyl-1-(2-methyl-2-methylsulfanylpropyl)-3-(2-methylsulfanylethyl)guanidine
CID 111611514
1-[2-(dimethylamino)-4-methylpentyl]-3-(3-ethoxy-4-methylpentyl)-2-methylguanidine
CID 111718688
1-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine;hydroiodide
CID 111610195
1-[2-(dimethylamino)-4-methylpentyl]-3-[(4-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 111232954

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-4-methylpentyl]-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine?
The IUPAC name of 1-[2-(dimethylamino)-4-methylpentyl]-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine (CID 111611958) is 1-[2-(dimethylamino)-4-methylpentyl]-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine.
What is the SMILES notation for 1-[2-(dimethylamino)-4-methylpentyl]-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine?
The canonical SMILES for 1-[2-(dimethylamino)-4-methylpentyl]-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine is C/N=C(\NCC(CC(C)C)N(C)C)NCC(C)(C)SC.
What is the InChIKey of 1-[2-(dimethylamino)-4-methylpentyl]-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine?
The InChIKey is CQYFDLUDOUJNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N4S/c1-12(2)9-13(19(6)7)10-17-14(16-5)18-11-15(3,4)20-8/h12-13H,9-11H2,1-8H3,(H2,16,17,18).
What are the key properties of 1-[2-(dimethylamino)-4-methylpentyl]-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine?
1-[2-(dimethylamino)-4-methylpentyl]-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine has a molecular weight of 302.53 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-4-methylpentyl]-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine is sourced from PubChem (CID 111611958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).