2-(2-methylpropyl)-1-(2-prop-2-enylsulfanylethyl)guanidine

C10H21N3S — CID 75462650

IUPAC2-(2-methylpropyl)-1-(2-prop-2-enylsulfanylethyl)guanidine
SMILESC=CCSCCN/C(N)=N/CC(C)C
InChIInChI=1S/C10H21N3S/c1-4-6-14-7-5-12-10(11)13-8-9(2)3/h4,9H,1,5-8H2,2-3H3,(H3,11,12,13)
InChIKeyFPISKQZHPDJISK-UHFFFAOYSA-N
MW215.37 g/mol
LogP1.47
Rot. Bonds7

About 2-(2-methylpropyl)-1-(2-prop-2-enylsulfanylethyl)guanidine

2-(2-methylpropyl)-1-(2-prop-2-enylsulfanylethyl)guanidine (PubChem CID 75462650) has the molecular formula C10H21N3S and a molecular weight of 215.37 g/mol. Its IUPAC name is 2-(2-methylpropyl)-1-(2-prop-2-enylsulfanylethyl)guanidine.

Molecular Properties

Compound Name2-(2-methylpropyl)-1-(2-prop-2-enylsulfanylethyl)guanidine
PubChem CID75462650
Molecular FormulaC10H21N3S
Molecular Weight215.37 g/mol
Exact Mass215.15
IUPAC Name2-(2-methylpropyl)-1-(2-prop-2-enylsulfanylethyl)guanidine
SMILESC=CCSCCN/C(N)=N/CC(C)C
InChIInChI=1S/C10H21N3S/c1-4-6-14-7-5-12-10(11)13-8-9(2)3/h4,9H,1,5-8H2,2-3H3,(H3,11,12,13)
InChIKeyFPISKQZHPDJISK-UHFFFAOYSA-N
XLogP1.47
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.37
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-1-(2-prop-2-enylsulfanylethyl)guanidine?
The IUPAC name of 2-(2-methylpropyl)-1-(2-prop-2-enylsulfanylethyl)guanidine (CID 75462650) is 2-(2-methylpropyl)-1-(2-prop-2-enylsulfanylethyl)guanidine.
What is the SMILES notation for 2-(2-methylpropyl)-1-(2-prop-2-enylsulfanylethyl)guanidine?
The canonical SMILES for 2-(2-methylpropyl)-1-(2-prop-2-enylsulfanylethyl)guanidine is C=CCSCCN/C(N)=N/CC(C)C.
What is the InChIKey of 2-(2-methylpropyl)-1-(2-prop-2-enylsulfanylethyl)guanidine?
The InChIKey is FPISKQZHPDJISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3S/c1-4-6-14-7-5-12-10(11)13-8-9(2)3/h4,9H,1,5-8H2,2-3H3,(H3,11,12,13).
What are the key properties of 2-(2-methylpropyl)-1-(2-prop-2-enylsulfanylethyl)guanidine?
2-(2-methylpropyl)-1-(2-prop-2-enylsulfanylethyl)guanidine has a molecular weight of 215.37 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-1-(2-prop-2-enylsulfanylethyl)guanidine is sourced from PubChem (CID 75462650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).