1-(2-cyclohexylcyclopropyl)-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide

C14H28IN3O — CID 111770529

IUPAC1-(2-cyclohexylcyclopropyl)-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCCOC)NC1CC1C1CCCCC1.I
InChIInChI=1S/C14H27N3O.HI/c1-15-14(16-8-9-18-2)17-13-10-12(13)11-6-4-3-5-7-11;/h11-13H,3-10H2,1-2H3,(H2,15,16,17);1H
InChIKeyXDDCVXBGNQJALI-UHFFFAOYSA-N
MW381.30 g/mol
LogP2.38
Rot. Bonds5

About 1-(2-cyclohexylcyclopropyl)-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide

1-(2-cyclohexylcyclopropyl)-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide (PubChem CID 111770529) has the molecular formula C14H28IN3O and a molecular weight of 381.30 g/mol. Its IUPAC name is 1-(2-cyclohexylcyclopropyl)-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-(2-cyclohexylcyclopropyl)-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
PubChem CID111770529
Molecular FormulaC14H28IN3O
Molecular Weight381.30 g/mol
Exact Mass381.13
IUPAC Name1-(2-cyclohexylcyclopropyl)-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCCOC)NC1CC1C1CCCCC1.I
InChIInChI=1S/C14H27N3O.HI/c1-15-14(16-8-9-18-2)17-13-10-12(13)11-6-4-3-5-7-11;/h11-13H,3-10H2,1-2H3,(H2,15,16,17);1H
InChIKeyXDDCVXBGNQJALI-UHFFFAOYSA-N
XLogP2.38
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.30
LogP ≤ 52.38
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'}

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Related Compounds

1-(2-cyclohexylcyclopropyl)-2-methyl-3-(oxan-4-yl)guanidine;hydroiodide
CID 119161927
1-(cyclooctylmethyl)-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide
CID 110973864
1-(5-methoxypentyl)-2-methyl-3-(2-methylcyclopropyl)guanidine
CID 111961991
1-cyclohexyl-3-[4-(2-methoxyethoxy)butyl]-2-methylguanidine
CID 110958357
1-(2-cyclohexylcyclopropyl)-3-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methylguanidine
CID 119161942
1-(2-methoxyethyl)-2-methyl-3-[(2-methylcyclohexyl)methyl]guanidine
CID 110939534
1-(1-acetylpiperidin-4-yl)-3-(2-cyclohexylcyclopropyl)-2-methylguanidine
CID 119146241
1-[2-(2-fluorophenyl)cyclopropyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 110942222
2-amino-N-(2-cyclohexylcyclopropyl)-3-methoxypropanamide;hydrochloride
CID 120990869
1-(3-ethylsulfinylcyclohexyl)-3-(2-methoxyethyl)-2-methylguanidine
CID 109439009
methyl 3-[[N-(2-cycloheptyloxyethyl)-N'-methylcarbamimidoyl]amino]propanoate;hydroiodide
CID 111575968
1-(3-cyclopentylpropyl)-3-[2-(2-methoxyethoxy)ethyl]-2-methylguanidine;hydroiodide
CID 111946436

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylcyclopropyl)-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide?
The IUPAC name of 1-(2-cyclohexylcyclopropyl)-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide (CID 111770529) is 1-(2-cyclohexylcyclopropyl)-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-(2-cyclohexylcyclopropyl)-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-(2-cyclohexylcyclopropyl)-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide is C/N=C(\NCCOC)NC1CC1C1CCCCC1.I.
What is the InChIKey of 1-(2-cyclohexylcyclopropyl)-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide?
The InChIKey is XDDCVXBGNQJALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O.HI/c1-15-14(16-8-9-18-2)17-13-10-12(13)11-6-4-3-5-7-11;/h11-13H,3-10H2,1-2H3,(H2,15,16,17);1H.
What are the key properties of 1-(2-cyclohexylcyclopropyl)-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide?
1-(2-cyclohexylcyclopropyl)-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide has a molecular weight of 381.30 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylcyclopropyl)-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide is sourced from PubChem (CID 111770529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).