1-amino-2-(2-methylpropyl)-3-(1-methylsulfanylbutan-2-yl)guanidine

C10H24N4S — CID 104889085

IUPAC1-amino-2-(2-methylpropyl)-3-(1-methylsulfanylbutan-2-yl)guanidine
SMILESCCC(CSC)N/C(=N/CC(C)C)NN
InChIInChI=1S/C10H24N4S/c1-5-9(7-15-4)13-10(14-11)12-6-8(2)3/h8-9H,5-7,11H2,1-4H3,(H2,12,13,14)
InChIKeyYLRGRWBUXNBNDB-UHFFFAOYSA-N
MW232.40 g/mol
LogP1.19
Rot. Bonds6

About 1-amino-2-(2-methylpropyl)-3-(1-methylsulfanylbutan-2-yl)guanidine

1-amino-2-(2-methylpropyl)-3-(1-methylsulfanylbutan-2-yl)guanidine (PubChem CID 104889085) has the molecular formula C10H24N4S and a molecular weight of 232.40 g/mol. Its IUPAC name is 1-amino-2-(2-methylpropyl)-3-(1-methylsulfanylbutan-2-yl)guanidine.

Molecular Properties

Compound Name1-amino-2-(2-methylpropyl)-3-(1-methylsulfanylbutan-2-yl)guanidine
PubChem CID104889085
Molecular FormulaC10H24N4S
Molecular Weight232.40 g/mol
Exact Mass232.17
IUPAC Name1-amino-2-(2-methylpropyl)-3-(1-methylsulfanylbutan-2-yl)guanidine
SMILESCCC(CSC)N/C(=N/CC(C)C)NN
InChIInChI=1S/C10H24N4S/c1-5-9(7-15-4)13-10(14-11)12-6-8(2)3/h8-9H,5-7,11H2,1-4H3,(H2,12,13,14)
InChIKeyYLRGRWBUXNBNDB-UHFFFAOYSA-N
XLogP1.19
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.40
LogP ≤ 51.19
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'}

Analyze 1-amino-2-(2-methylpropyl)-3-(1-methylsulfanylbutan-2-yl)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-Amino-2-(2-methylpropyl)-3-[2-(trifluoromethylsulfanyl)ethyl]guanidine
CID 106434160
1-amino-2-methyl-3-[2-[(4-methyl-4,5-dihydro-1H-imidazol-5-yl)methylsulfanyl]ethyl]guanidine
CID 176524921
1-Amino-2-(2-methylpropyl)-3-(thiolan-3-yl)guanidine
CID 103065584
1-Amino-2-ethyl-3-(thiolan-3-yl)guanidine
CID 103065586
1-Amino-2-methyl-3-(thiolan-3-yl)guanidine
CID 103065588
1-Amino-2-propyl-3-(thiolan-3-yl)guanidine
CID 103065589
1-Amino-2-cyclopropyl-3-(thiolan-3-yl)guanidine
CID 103065592
1-Amino-2-butyl-3-(thiolan-3-yl)guanidine
CID 103065594
1-Amino-3-propan-2-yl-2-(thiolan-3-yl)guanidine
CID 103065597
1-Amino-2-methyl-3-(2-methyl-3-methylsulfanylpropyl)guanidine
CID 104882230
1-Amino-2-methyl-3-(3-methylsulfanylpropyl)guanidine
CID 104882256
3-Amino-1,2-dimethyl-1-(1-methylsulfanylbutan-2-yl)guanidine
CID 104882429

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(2-methylpropyl)-3-(1-methylsulfanylbutan-2-yl)guanidine?
The IUPAC name of 1-amino-2-(2-methylpropyl)-3-(1-methylsulfanylbutan-2-yl)guanidine (CID 104889085) is 1-amino-2-(2-methylpropyl)-3-(1-methylsulfanylbutan-2-yl)guanidine.
What is the SMILES notation for 1-amino-2-(2-methylpropyl)-3-(1-methylsulfanylbutan-2-yl)guanidine?
The canonical SMILES for 1-amino-2-(2-methylpropyl)-3-(1-methylsulfanylbutan-2-yl)guanidine is CCC(CSC)N/C(=N/CC(C)C)NN.
What is the InChIKey of 1-amino-2-(2-methylpropyl)-3-(1-methylsulfanylbutan-2-yl)guanidine?
The InChIKey is YLRGRWBUXNBNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4S/c1-5-9(7-15-4)13-10(14-11)12-6-8(2)3/h8-9H,5-7,11H2,1-4H3,(H2,12,13,14).
What are the key properties of 1-amino-2-(2-methylpropyl)-3-(1-methylsulfanylbutan-2-yl)guanidine?
1-amino-2-(2-methylpropyl)-3-(1-methylsulfanylbutan-2-yl)guanidine has a molecular weight of 232.40 g/mol, XLogP of 1.19, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(2-methylpropyl)-3-(1-methylsulfanylbutan-2-yl)guanidine is sourced from PubChem (CID 104889085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).