1-amino-2-cyclopropyl-3-(4-ethylsulfanylbutan-2-yl)guanidine

C10H22N4S — CID 104889027

IUPAC1-amino-2-cyclopropyl-3-(4-ethylsulfanylbutan-2-yl)guanidine
SMILESCCSCCC(C)N/C(=N/C1CC1)NN
InChIInChI=1S/C10H22N4S/c1-3-15-7-6-8(2)12-10(14-11)13-9-4-5-9/h8-9H,3-7,11H2,1-2H3,(H2,12,13,14)
InChIKeyOOSCJUWBEIWMEG-UHFFFAOYSA-N
MW230.38 g/mol
LogP1.09
Rot. Bonds6

About 1-amino-2-cyclopropyl-3-(4-ethylsulfanylbutan-2-yl)guanidine

1-amino-2-cyclopropyl-3-(4-ethylsulfanylbutan-2-yl)guanidine (PubChem CID 104889027) has the molecular formula C10H22N4S and a molecular weight of 230.38 g/mol. Its IUPAC name is 1-amino-2-cyclopropyl-3-(4-ethylsulfanylbutan-2-yl)guanidine.

Molecular Properties

Compound Name1-amino-2-cyclopropyl-3-(4-ethylsulfanylbutan-2-yl)guanidine
PubChem CID104889027
Molecular FormulaC10H22N4S
Molecular Weight230.38 g/mol
Exact Mass230.16
IUPAC Name1-amino-2-cyclopropyl-3-(4-ethylsulfanylbutan-2-yl)guanidine
SMILESCCSCCC(C)N/C(=N/C1CC1)NN
InChIInChI=1S/C10H22N4S/c1-3-15-7-6-8(2)12-10(14-11)13-9-4-5-9/h8-9H,3-7,11H2,1-2H3,(H2,12,13,14)
InChIKeyOOSCJUWBEIWMEG-UHFFFAOYSA-N
XLogP1.09
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-cyclopropyl-3-(4-ethylsulfanylbutan-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

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-cyclopropyl-3-(4-ethylsulfanylbutan-2-yl)guanidine?
The IUPAC name of 1-amino-2-cyclopropyl-3-(4-ethylsulfanylbutan-2-yl)guanidine (CID 104889027) is 1-amino-2-cyclopropyl-3-(4-ethylsulfanylbutan-2-yl)guanidine.
What is the SMILES notation for 1-amino-2-cyclopropyl-3-(4-ethylsulfanylbutan-2-yl)guanidine?
The canonical SMILES for 1-amino-2-cyclopropyl-3-(4-ethylsulfanylbutan-2-yl)guanidine is CCSCCC(C)N/C(=N/C1CC1)NN.
What is the InChIKey of 1-amino-2-cyclopropyl-3-(4-ethylsulfanylbutan-2-yl)guanidine?
The InChIKey is OOSCJUWBEIWMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4S/c1-3-15-7-6-8(2)12-10(14-11)13-9-4-5-9/h8-9H,3-7,11H2,1-2H3,(H2,12,13,14).
What are the key properties of 1-amino-2-cyclopropyl-3-(4-ethylsulfanylbutan-2-yl)guanidine?
1-amino-2-cyclopropyl-3-(4-ethylsulfanylbutan-2-yl)guanidine has a molecular weight of 230.38 g/mol, XLogP of 1.09, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-cyclopropyl-3-(4-ethylsulfanylbutan-2-yl)guanidine is sourced from PubChem (CID 104889027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).