1-amino-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine

C7H18N4S — CID 104882473

IUPAC1-amino-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine
SMILESC/N=C(\NN)NCC(C)(C)SC
InChIInChI=1S/C7H18N4S/c1-7(2,12-4)5-10-6(9-3)11-8/h5,8H2,1-4H3,(H2,9,10,11)
InChIKeyHICZPKAJAPCVMR-UHFFFAOYSA-N
MW190.32 g/mol
LogP0.17
Rot. Bonds3

About 1-amino-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine

1-amino-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine (PubChem CID 104882473) has the molecular formula C7H18N4S and a molecular weight of 190.32 g/mol. Its IUPAC name is 1-amino-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine.

Molecular Properties

Compound Name1-amino-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine
PubChem CID104882473
Molecular FormulaC7H18N4S
Molecular Weight190.32 g/mol
Exact Mass190.13
IUPAC Name1-amino-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine
SMILESC/N=C(\NN)NCC(C)(C)SC
InChIInChI=1S/C7H18N4S/c1-7(2,12-4)5-10-6(9-3)11-8/h5,8H2,1-4H3,(H2,9,10,11)
InChIKeyHICZPKAJAPCVMR-UHFFFAOYSA-N
XLogP0.17
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.32
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-(2-methyl-2-methylsulfanylpropyl)-3-(2-methylsulfanylethyl)guanidine
CID 111611514
1-amino-3-(2,2-dimethylbutyl)-2-methylguanidine
CID 103466912
1-cyclopentyl-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine
CID 111790988
methyl 2-methyl-3-[[N'-methyl-N-(2-methyl-2-methylsulfanylpropyl)carbamimidoyl]amino]propanoate
CID 111610006
1-(2,2-dimethylcyclopropyl)-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine;hydroiodide
CID 119141186
2-methyl-1-(2-methyl-2-methylsulfanylpropyl)-3-(2-methylsulfonylethyl)guanidine
CID 111609288
1-[3-(diethylamino)propyl]-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine
CID 111609164
2-methyl-1-(2-methyl-2-methylsulfanylpropyl)-3-(2-piperidin-1-ylethyl)guanidine
CID 111610770
2-methyl-1-(2-methyl-2-methylsulfanylpropyl)-3-(oxolan-2-ylmethyl)guanidine
CID 111610740
1-[2-(dimethylamino)-4-methylpentyl]-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine
CID 111611958
1-[2-[butan-2-yl(methyl)amino]ethyl]-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine
CID 111611752
1-[(4-bromophenyl)methyl]-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine;hydroiodide
CID 111977591

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine?
The IUPAC name of 1-amino-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine (CID 104882473) is 1-amino-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine.
What is the SMILES notation for 1-amino-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine?
The canonical SMILES for 1-amino-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine is C/N=C(\NN)NCC(C)(C)SC.
What is the InChIKey of 1-amino-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine?
The InChIKey is HICZPKAJAPCVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N4S/c1-7(2,12-4)5-10-6(9-3)11-8/h5,8H2,1-4H3,(H2,9,10,11).
What are the key properties of 1-amino-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine?
1-amino-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine has a molecular weight of 190.32 g/mol, XLogP of 0.17, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine is sourced from PubChem (CID 104882473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).