2-(2-methyl-2-methylsulfanylpropyl)-1-(2-methylpropyl)guanidine

C10H23N3S — CID 111814810

IUPAC2-(2-methyl-2-methylsulfanylpropyl)-1-(2-methylpropyl)guanidine
SMILESCSC(C)(C)C/N=C(\N)NCC(C)C
InChIInChI=1S/C10H23N3S/c1-8(2)6-12-9(11)13-7-10(3,4)14-5/h8H,6-7H2,1-5H3,(H3,11,12,13)
InChIKeyXPRDPQYHNRYBCY-UHFFFAOYSA-N
MW217.38 g/mol
LogP1.69
Rot. Bonds5

About 2-(2-methyl-2-methylsulfanylpropyl)-1-(2-methylpropyl)guanidine

2-(2-methyl-2-methylsulfanylpropyl)-1-(2-methylpropyl)guanidine (PubChem CID 111814810) has the molecular formula C10H23N3S and a molecular weight of 217.38 g/mol. Its IUPAC name is 2-(2-methyl-2-methylsulfanylpropyl)-1-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name2-(2-methyl-2-methylsulfanylpropyl)-1-(2-methylpropyl)guanidine
PubChem CID111814810
Molecular FormulaC10H23N3S
Molecular Weight217.38 g/mol
Exact Mass217.16
IUPAC Name2-(2-methyl-2-methylsulfanylpropyl)-1-(2-methylpropyl)guanidine
SMILESCSC(C)(C)C/N=C(\N)NCC(C)C
InChIInChI=1S/C10H23N3S/c1-8(2)6-12-9(11)13-7-10(3,4)14-5/h8H,6-7H2,1-5H3,(H3,11,12,13)
InChIKeyXPRDPQYHNRYBCY-UHFFFAOYSA-N
XLogP1.69
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-(2-methylpropyl)guanidine
CID 106248114
3-[[amino-(2-methylpropylamino)methylidene]amino]-2,2-dimethylpropanamide
CID 103646370
2-(2-methyl-2-piperidin-1-ylpropyl)-1-(2-methylpropyl)guanidine
CID 111028794
2-[2-(methanesulfonamido)-2-methylpropyl]-1-(2-methylpropyl)guanidine;hydroiodide
CID 111110801
2-(2-methyl-2-morpholin-4-ylpropyl)-1-(2-methylpropyl)guanidine
CID 111028508
2-[2-methyl-2-(2-methylphenyl)propyl]-1-(2-methylpropyl)guanidine
CID 111087970
2-[[amino-(2-methylpropylamino)methylidene]amino]acetamide
CID 62364363
2-(2-methyl-2-methylsulfanylpropyl)-1-phenylguanidine
CID 111478633
2-[2-methyl-2-(3-methylphenyl)propyl]-1-(2-methylpropyl)guanidine
CID 111088072
1-(2-methyl-2-methylsulfanylpropyl)-3-(2-methylpropyl)thiourea
CID 115662944
2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-(2-methylpropyl)guanidine
CID 111080175
1-(2-methylpropyl)-2-[(1-methylsulfanylcyclohexyl)methyl]guanidine
CID 114116614

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-2-methylsulfanylpropyl)-1-(2-methylpropyl)guanidine?
The IUPAC name of 2-(2-methyl-2-methylsulfanylpropyl)-1-(2-methylpropyl)guanidine (CID 111814810) is 2-(2-methyl-2-methylsulfanylpropyl)-1-(2-methylpropyl)guanidine.
What is the SMILES notation for 2-(2-methyl-2-methylsulfanylpropyl)-1-(2-methylpropyl)guanidine?
The canonical SMILES for 2-(2-methyl-2-methylsulfanylpropyl)-1-(2-methylpropyl)guanidine is CSC(C)(C)C/N=C(\N)NCC(C)C.
What is the InChIKey of 2-(2-methyl-2-methylsulfanylpropyl)-1-(2-methylpropyl)guanidine?
The InChIKey is XPRDPQYHNRYBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3S/c1-8(2)6-12-9(11)13-7-10(3,4)14-5/h8H,6-7H2,1-5H3,(H3,11,12,13).
What are the key properties of 2-(2-methyl-2-methylsulfanylpropyl)-1-(2-methylpropyl)guanidine?
2-(2-methyl-2-methylsulfanylpropyl)-1-(2-methylpropyl)guanidine has a molecular weight of 217.38 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-2-methylsulfanylpropyl)-1-(2-methylpropyl)guanidine is sourced from PubChem (CID 111814810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).