1-(2-methylpropyl)-2-[(1-methylsulfanylcyclohexyl)methyl]guanidine

C13H27N3S — CID 114116614

IUPAC1-(2-methylpropyl)-2-[(1-methylsulfanylcyclohexyl)methyl]guanidine
SMILESCSC1(C/N=C(\N)NCC(C)C)CCCCC1
InChIInChI=1S/C13H27N3S/c1-11(2)9-15-12(14)16-10-13(17-3)7-5-4-6-8-13/h11H,4-10H2,1-3H3,(H3,14,15,16)
InChIKeySKNZNGIJWGYATH-UHFFFAOYSA-N
MW257.45 g/mol
LogP2.61
Rot. Bonds5

About 1-(2-methylpropyl)-2-[(1-methylsulfanylcyclohexyl)methyl]guanidine

1-(2-methylpropyl)-2-[(1-methylsulfanylcyclohexyl)methyl]guanidine (PubChem CID 114116614) has the molecular formula C13H27N3S and a molecular weight of 257.45 g/mol. Its IUPAC name is 1-(2-methylpropyl)-2-[(1-methylsulfanylcyclohexyl)methyl]guanidine.

Molecular Properties

Compound Name1-(2-methylpropyl)-2-[(1-methylsulfanylcyclohexyl)methyl]guanidine
PubChem CID114116614
Molecular FormulaC13H27N3S
Molecular Weight257.45 g/mol
Exact Mass257.19
IUPAC Name1-(2-methylpropyl)-2-[(1-methylsulfanylcyclohexyl)methyl]guanidine
SMILESCSC1(C/N=C(\N)NCC(C)C)CCCCC1
InChIInChI=1S/C13H27N3S/c1-11(2)9-15-12(14)16-10-13(17-3)7-5-4-6-8-13/h11H,4-10H2,1-3H3,(H3,14,15,16)
InChIKeySKNZNGIJWGYATH-UHFFFAOYSA-N
XLogP2.61
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.45
LogP ≤ 52.61
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

1-tert-butyl-2-[(1-methylsulfanylcyclobutyl)methyl]guanidine;hydroiodide
CID 120605845
1-cyclopropyl-2-[(1-methylsulfanylcyclopropyl)methyl]guanidine
CID 107265845
2-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-1-(2-methylpropyl)guanidine
CID 111037658
2-(2-methyl-2-methylsulfanylpropyl)-1-(2-methylpropyl)guanidine
CID 111814810
2-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-1-(2-methylpropyl)guanidine;hydroiodide
CID 111807333
2-[(1-hydroxycyclopentyl)methyl]-1-(3-methylbutyl)guanidine;hydroiodide
CID 111088614
1-(3-methylbutyl)-2-[(1-methylcyclopentyl)methyl]guanidine;hydroiodide
CID 111807719
2-(2-methyl-2-piperidin-1-ylpropyl)-1-(2-methylpropyl)guanidine
CID 111028794
N-(2-methylpropyl)cyclooctanecarboxamide
CID 65022959
2-[[amino-(2-methylpropylamino)methylidene]amino]acetamide
CID 62364363
2-[[1-(3-bromophenyl)cyclopropyl]methyl]-1-(2-methylpropyl)guanidine
CID 111812092
2-[(1-methylsulfanylcyclobutyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 120605860

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-2-[(1-methylsulfanylcyclohexyl)methyl]guanidine?
The IUPAC name of 1-(2-methylpropyl)-2-[(1-methylsulfanylcyclohexyl)methyl]guanidine (CID 114116614) is 1-(2-methylpropyl)-2-[(1-methylsulfanylcyclohexyl)methyl]guanidine.
What is the SMILES notation for 1-(2-methylpropyl)-2-[(1-methylsulfanylcyclohexyl)methyl]guanidine?
The canonical SMILES for 1-(2-methylpropyl)-2-[(1-methylsulfanylcyclohexyl)methyl]guanidine is CSC1(C/N=C(\N)NCC(C)C)CCCCC1.
What is the InChIKey of 1-(2-methylpropyl)-2-[(1-methylsulfanylcyclohexyl)methyl]guanidine?
The InChIKey is SKNZNGIJWGYATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3S/c1-11(2)9-15-12(14)16-10-13(17-3)7-5-4-6-8-13/h11H,4-10H2,1-3H3,(H3,14,15,16).
What are the key properties of 1-(2-methylpropyl)-2-[(1-methylsulfanylcyclohexyl)methyl]guanidine?
1-(2-methylpropyl)-2-[(1-methylsulfanylcyclohexyl)methyl]guanidine has a molecular weight of 257.45 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-2-[(1-methylsulfanylcyclohexyl)methyl]guanidine is sourced from PubChem (CID 114116614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).