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

C10H22IN3S — CID 75462649

IUPAC2-(2-methylpropyl)-1-(2-prop-2-enylsulfanylethyl)guanidine;hydroiodide
SMILESC=CCSCCN/C(N)=N/CC(C)C.I
InChIInChI=1S/C10H21N3S.HI/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);1H
InChIKeyKCOYBMCXRQLECR-UHFFFAOYSA-N
MW343.28 g/mol
LogP2.08
Rot. Bonds7

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

2-(2-methylpropyl)-1-(2-prop-2-enylsulfanylethyl)guanidine;hydroiodide (PubChem CID 75462649) has the molecular formula C10H22IN3S and a molecular weight of 343.28 g/mol. Its IUPAC name is 2-(2-methylpropyl)-1-(2-prop-2-enylsulfanylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-(2-methylpropyl)-1-(2-prop-2-enylsulfanylethyl)guanidine;hydroiodide
PubChem CID75462649
Molecular FormulaC10H22IN3S
Molecular Weight343.28 g/mol
Exact Mass343.06
IUPAC Name2-(2-methylpropyl)-1-(2-prop-2-enylsulfanylethyl)guanidine;hydroiodide
SMILESC=CCSCCN/C(N)=N/CC(C)C.I
InChIInChI=1S/C10H21N3S.HI/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);1H
InChIKeyKCOYBMCXRQLECR-UHFFFAOYSA-N
XLogP2.08
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.28
LogP ≤ 52.08
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': 'iodine', '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;hydroiodide?
The IUPAC name of 2-(2-methylpropyl)-1-(2-prop-2-enylsulfanylethyl)guanidine;hydroiodide (CID 75462649) is 2-(2-methylpropyl)-1-(2-prop-2-enylsulfanylethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-(2-methylpropyl)-1-(2-prop-2-enylsulfanylethyl)guanidine;hydroiodide?
The canonical SMILES for 2-(2-methylpropyl)-1-(2-prop-2-enylsulfanylethyl)guanidine;hydroiodide is C=CCSCCN/C(N)=N/CC(C)C.I.
What is the InChIKey of 2-(2-methylpropyl)-1-(2-prop-2-enylsulfanylethyl)guanidine;hydroiodide?
The InChIKey is KCOYBMCXRQLECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3S.HI/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);1H.
What are the key properties of 2-(2-methylpropyl)-1-(2-prop-2-enylsulfanylethyl)guanidine;hydroiodide?
2-(2-methylpropyl)-1-(2-prop-2-enylsulfanylethyl)guanidine;hydroiodide has a molecular weight of 343.28 g/mol, XLogP of 2.08, 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;hydroiodide is sourced from PubChem (CID 75462649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).