1-(3-cyclohexylpropyl)-2,3-dimethylguanidine;hydroiodide

C12H26IN3 — CID 110919956

IUPAC1-(3-cyclohexylpropyl)-2,3-dimethylguanidine;hydroiodide
SMILESC/N=C(\NC)NCCCC1CCCCC1.I
InChIInChI=1S/C12H25N3.HI/c1-13-12(14-2)15-10-6-9-11-7-4-3-5-8-11;/h11H,3-10H2,1-2H3,(H2,13,14,15);1H
InChIKeyGSURETAOKIWQDQ-UHFFFAOYSA-N
MW339.27 g/mol
LogP2.76
Rot. Bonds4

About 1-(3-cyclohexylpropyl)-2,3-dimethylguanidine;hydroiodide

1-(3-cyclohexylpropyl)-2,3-dimethylguanidine;hydroiodide (PubChem CID 110919956) has the molecular formula C12H26IN3 and a molecular weight of 339.27 g/mol. Its IUPAC name is 1-(3-cyclohexylpropyl)-2,3-dimethylguanidine;hydroiodide.

Molecular Properties

Compound Name1-(3-cyclohexylpropyl)-2,3-dimethylguanidine;hydroiodide
PubChem CID110919956
Molecular FormulaC12H26IN3
Molecular Weight339.27 g/mol
Exact Mass339.12
IUPAC Name1-(3-cyclohexylpropyl)-2,3-dimethylguanidine;hydroiodide
SMILESC/N=C(\NC)NCCCC1CCCCC1.I
InChIInChI=1S/C12H25N3.HI/c1-13-12(14-2)15-10-6-9-11-7-4-3-5-8-11;/h11H,3-10H2,1-2H3,(H2,13,14,15);1H
InChIKeyGSURETAOKIWQDQ-UHFFFAOYSA-N
XLogP2.76
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.27
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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'}

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Related Compounds

1-(3-cyclopentylpropyl)-2-methyl-3-(4-methylsulfanylbutyl)guanidine;hydroiodide
CID 111626175
1-(2-tert-butylsulfonylethyl)-3-(3-cyclohexylpropyl)-2-methylguanidine;hydroiodide
CID 111573620
1-butan-2-yl-3-(3-cyclopentylpropyl)-2-methylguanidine;hydroiodide
CID 110944229
1-(3-cyclohexylpropyl)-2-methyl-3-[(1-methylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111947622
1-butyl-3-(2-cyclohexylethyl)-2-methylguanidine
CID 111151166
4-[[N-(3-cyclohexylpropyl)-N'-methylcarbamimidoyl]amino]-N-cyclopropylbutanamide;hydroiodide
CID 111947474
1-(3-cyclopentylpropyl)-3-[2-(2-methoxyethoxy)ethyl]-2-methylguanidine;hydroiodide
CID 111946436
1-(3-cyclopentylpropyl)-3-[4-(2-methoxyethoxy)butyl]-2-methylguanidine;hydroiodide
CID 111947232
1-(3-cyclopentylpropyl)-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine
CID 111404127
1-(3-cyclopentylpropyl)-3-[(1,1-dioxothiolan-3-yl)methyl]-2-methylguanidine;hydroiodide
CID 111946966
1-(4-cyclohexylbutan-2-yl)-2,3-dimethylguanidine;hydroiodide
CID 109482303
1-(3-cyclohexylpropyl)-2-methyl-3-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]guanidine
CID 111947361

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexylpropyl)-2,3-dimethylguanidine;hydroiodide?
The IUPAC name of 1-(3-cyclohexylpropyl)-2,3-dimethylguanidine;hydroiodide (CID 110919956) is 1-(3-cyclohexylpropyl)-2,3-dimethylguanidine;hydroiodide.
What is the SMILES notation for 1-(3-cyclohexylpropyl)-2,3-dimethylguanidine;hydroiodide?
The canonical SMILES for 1-(3-cyclohexylpropyl)-2,3-dimethylguanidine;hydroiodide is C/N=C(\NC)NCCCC1CCCCC1.I.
What is the InChIKey of 1-(3-cyclohexylpropyl)-2,3-dimethylguanidine;hydroiodide?
The InChIKey is GSURETAOKIWQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3.HI/c1-13-12(14-2)15-10-6-9-11-7-4-3-5-8-11;/h11H,3-10H2,1-2H3,(H2,13,14,15);1H.
What are the key properties of 1-(3-cyclohexylpropyl)-2,3-dimethylguanidine;hydroiodide?
1-(3-cyclohexylpropyl)-2,3-dimethylguanidine;hydroiodide has a molecular weight of 339.27 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexylpropyl)-2,3-dimethylguanidine;hydroiodide is sourced from PubChem (CID 110919956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).