1-(2-methoxyethyl)-2-methyl-3-[2-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide

C14H31IN4O — CID 56801469

IUPAC1-(2-methoxyethyl)-2-methyl-3-[2-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
SMILESC/N=C(\NCCOC)NCC(C)N1CCCCC1C.I
InChIInChI=1S/C14H30N4O.HI/c1-12-7-5-6-9-18(12)13(2)11-17-14(15-3)16-8-10-19-4;/h12-13H,5-11H2,1-4H3,(H2,15,16,17);1H
InChIKeyMXQUXUDKHOSFNA-UHFFFAOYSA-N
MW398.33 g/mol
LogP1.68
Rot. Bonds6

About 1-(2-methoxyethyl)-2-methyl-3-[2-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide

1-(2-methoxyethyl)-2-methyl-3-[2-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide (PubChem CID 56801469) has the molecular formula C14H31IN4O and a molecular weight of 398.33 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2-methyl-3-[2-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2-methyl-3-[2-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
PubChem CID56801469
Molecular FormulaC14H31IN4O
Molecular Weight398.33 g/mol
Exact Mass398.15
IUPAC Name1-(2-methoxyethyl)-2-methyl-3-[2-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
SMILESC/N=C(\NCCOC)NCC(C)N1CCCCC1C.I
InChIInChI=1S/C14H30N4O.HI/c1-12-7-5-6-9-18(12)13(2)11-17-14(15-3)16-8-10-19-4;/h12-13H,5-11H2,1-4H3,(H2,15,16,17);1H
InChIKeyMXQUXUDKHOSFNA-UHFFFAOYSA-N
XLogP1.68
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.33
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N-cyclohexyl-N'-methylmorpholine-4-carboximidamide
CID 172436430
N-(2-methoxyethyl)-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109376216
N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109377088
N-[2-[2-methoxyethyl(methyl)amino]ethyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109377600
N-ethyl-N'-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109378793
2-Methyl-1-[2-(3-methylmorpholin-4-yl)propyl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109474188
1-Ethyl-2-[2-(3-methylmorpholin-4-yl)propyl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109475096
1-Ethyl-2-(2-morpholin-4-ylpropyl)-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111778314
2-Methyl-1-(4-methyl-2-morpholin-4-ylpentyl)-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 112000232
1-Ethyl-2-(2-morpholin-4-ylpropyl)-3-(5,5,5-trifluoropentyl)guanidine;hydroiodide
CID 112431208
1-Ethyl-2-(2-morpholin-4-ylpropyl)-3-(5,5,5-trifluoropentyl)guanidine
CID 112431209
1-Ethyl-3-(2-morpholin-4-ylethyl)-2-(5,5,5-trifluoropentyl)guanidine;hydroiodide
CID 112433262

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2-methyl-3-[2-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide?
The IUPAC name of 1-(2-methoxyethyl)-2-methyl-3-[2-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide (CID 56801469) is 1-(2-methoxyethyl)-2-methyl-3-[2-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(2-methoxyethyl)-2-methyl-3-[2-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide?
The canonical SMILES for 1-(2-methoxyethyl)-2-methyl-3-[2-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide is C/N=C(\NCCOC)NCC(C)N1CCCCC1C.I.
What is the InChIKey of 1-(2-methoxyethyl)-2-methyl-3-[2-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide?
The InChIKey is MXQUXUDKHOSFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O.HI/c1-12-7-5-6-9-18(12)13(2)11-17-14(15-3)16-8-10-19-4;/h12-13H,5-11H2,1-4H3,(H2,15,16,17);1H.
What are the key properties of 1-(2-methoxyethyl)-2-methyl-3-[2-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide?
1-(2-methoxyethyl)-2-methyl-3-[2-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide has a molecular weight of 398.33 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2-methyl-3-[2-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide is sourced from PubChem (CID 56801469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).