1-(4-cyclohexylbutan-2-yl)-2,3-dimethylguanidine;hydroiodide

C13H28IN3 — CID 109482303

IUPAC1-(4-cyclohexylbutan-2-yl)-2,3-dimethylguanidine;hydroiodide
SMILESC/N=C(\NC)NC(C)CCC1CCCCC1.I
InChIInChI=1S/C13H27N3.HI/c1-11(16-13(14-2)15-3)9-10-12-7-5-4-6-8-12;/h11-12H,4-10H2,1-3H3,(H2,14,15,16);1H
InChIKeyNXMOGDCDIZBAPG-UHFFFAOYSA-N
MW353.29 g/mol
LogP3.15
Rot. Bonds4

About 1-(4-cyclohexylbutan-2-yl)-2,3-dimethylguanidine;hydroiodide

1-(4-cyclohexylbutan-2-yl)-2,3-dimethylguanidine;hydroiodide (PubChem CID 109482303) has the molecular formula C13H28IN3 and a molecular weight of 353.29 g/mol. Its IUPAC name is 1-(4-cyclohexylbutan-2-yl)-2,3-dimethylguanidine;hydroiodide.

Molecular Properties

Compound Name1-(4-cyclohexylbutan-2-yl)-2,3-dimethylguanidine;hydroiodide
PubChem CID109482303
Molecular FormulaC13H28IN3
Molecular Weight353.29 g/mol
Exact Mass353.13
IUPAC Name1-(4-cyclohexylbutan-2-yl)-2,3-dimethylguanidine;hydroiodide
SMILESC/N=C(\NC)NC(C)CCC1CCCCC1.I
InChIInChI=1S/C13H27N3.HI/c1-11(16-13(14-2)15-3)9-10-12-7-5-4-6-8-12;/h11-12H,4-10H2,1-3H3,(H2,14,15,16);1H
InChIKeyNXMOGDCDIZBAPG-UHFFFAOYSA-N
XLogP3.15
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.29
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-cyclohexylbutan-2-yl)-3-cyclopropyl-2-methylguanidine
CID 109482315
1-(4-cyclohexylbutan-2-yl)-2-methyl-3-[(1-methylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 109482868
1-(4-cyclohexylbutan-2-yl)-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 109482815
1-(3-cyclohexylpropyl)-2,3-dimethylguanidine;hydroiodide
CID 110919956
4-[[N-(4-cyclohexylbutan-2-yl)-N'-methylcarbamimidoyl]amino]-N-cyclopropylbutanamide;hydroiodide
CID 109482722
1-(4-cyclohexylbutan-2-yl)-2-methyl-3-[(1-methylsulfonylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 109482483
1-[(1S)-1-cyclopentylethyl]-2,3-dimethylguanidine
CID 131096617
1-(4-cyclohexylbutan-2-yl)-3-[3-(methanesulfonamido)propyl]-2-methylguanidine
CID 109482667
1-(4-cyclohexylbutan-2-yl)-3-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methylguanidine
CID 109482812
1-(4-cyclohexylbutan-2-yl)-2-methyl-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 109482521
1-(4-cyclohexylbutan-2-yl)-3-[4-(4-ethylpiperazin-1-yl)butyl]-2-methylguanidine;hydroiodide
CID 109482604
3-(4-cyclohexylbutan-2-yl)-2-ethyl-1,1-dimethylguanidine;hydroiodide
CID 109482866

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylbutan-2-yl)-2,3-dimethylguanidine;hydroiodide?
The IUPAC name of 1-(4-cyclohexylbutan-2-yl)-2,3-dimethylguanidine;hydroiodide (CID 109482303) is 1-(4-cyclohexylbutan-2-yl)-2,3-dimethylguanidine;hydroiodide.
What is the SMILES notation for 1-(4-cyclohexylbutan-2-yl)-2,3-dimethylguanidine;hydroiodide?
The canonical SMILES for 1-(4-cyclohexylbutan-2-yl)-2,3-dimethylguanidine;hydroiodide is C/N=C(\NC)NC(C)CCC1CCCCC1.I.
What is the InChIKey of 1-(4-cyclohexylbutan-2-yl)-2,3-dimethylguanidine;hydroiodide?
The InChIKey is NXMOGDCDIZBAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3.HI/c1-11(16-13(14-2)15-3)9-10-12-7-5-4-6-8-12;/h11-12H,4-10H2,1-3H3,(H2,14,15,16);1H.
What are the key properties of 1-(4-cyclohexylbutan-2-yl)-2,3-dimethylguanidine;hydroiodide?
1-(4-cyclohexylbutan-2-yl)-2,3-dimethylguanidine;hydroiodide has a molecular weight of 353.29 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylbutan-2-yl)-2,3-dimethylguanidine;hydroiodide is sourced from PubChem (CID 109482303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).