3-amino-1,2-dimethyl-1-(1-methylsulfanylbutan-2-yl)guanidine

C8H20N4S — CID 104882429

IUPAC3-amino-1,2-dimethyl-1-(1-methylsulfanylbutan-2-yl)guanidine
SMILESCCC(CSC)N(C)/C(=N/C)NN
InChIInChI=1S/C8H20N4S/c1-5-7(6-13-4)12(3)8(10-2)11-9/h7H,5-6,9H2,1-4H3,(H,10,11)
InChIKeyHRHJFCCKXNLKDV-UHFFFAOYSA-N
MW204.34 g/mol
LogP0.51
Rot. Bonds4

About 3-amino-1,2-dimethyl-1-(1-methylsulfanylbutan-2-yl)guanidine

3-amino-1,2-dimethyl-1-(1-methylsulfanylbutan-2-yl)guanidine (PubChem CID 104882429) has the molecular formula C8H20N4S and a molecular weight of 204.34 g/mol. Its IUPAC name is 3-amino-1,2-dimethyl-1-(1-methylsulfanylbutan-2-yl)guanidine.

Molecular Properties

Compound Name3-amino-1,2-dimethyl-1-(1-methylsulfanylbutan-2-yl)guanidine
PubChem CID104882429
Molecular FormulaC8H20N4S
Molecular Weight204.34 g/mol
Exact Mass204.14
IUPAC Name3-amino-1,2-dimethyl-1-(1-methylsulfanylbutan-2-yl)guanidine
SMILESCCC(CSC)N(C)/C(=N/C)NN
InChIInChI=1S/C8H20N4S/c1-5-7(6-13-4)12(3)8(10-2)11-9/h7H,5-6,9H2,1-4H3,(H,10,11)
InChIKeyHRHJFCCKXNLKDV-UHFFFAOYSA-N
XLogP0.51
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 50.51
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 3-amino-1,2-dimethyl-1-(1-methylsulfanylbutan-2-yl)guanidine?
The IUPAC name of 3-amino-1,2-dimethyl-1-(1-methylsulfanylbutan-2-yl)guanidine (CID 104882429) is 3-amino-1,2-dimethyl-1-(1-methylsulfanylbutan-2-yl)guanidine.
What is the SMILES notation for 3-amino-1,2-dimethyl-1-(1-methylsulfanylbutan-2-yl)guanidine?
The canonical SMILES for 3-amino-1,2-dimethyl-1-(1-methylsulfanylbutan-2-yl)guanidine is CCC(CSC)N(C)/C(=N/C)NN.
What is the InChIKey of 3-amino-1,2-dimethyl-1-(1-methylsulfanylbutan-2-yl)guanidine?
The InChIKey is HRHJFCCKXNLKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4S/c1-5-7(6-13-4)12(3)8(10-2)11-9/h7H,5-6,9H2,1-4H3,(H,10,11).
What are the key properties of 3-amino-1,2-dimethyl-1-(1-methylsulfanylbutan-2-yl)guanidine?
3-amino-1,2-dimethyl-1-(1-methylsulfanylbutan-2-yl)guanidine has a molecular weight of 204.34 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,2-dimethyl-1-(1-methylsulfanylbutan-2-yl)guanidine is sourced from PubChem (CID 104882429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).