1-(2-methoxyethyl)-2-methyl-3-[4-(2-methylimidazol-1-yl)butyl]guanidine

C13H25N5O — CID 111770568

IUPAC1-(2-methoxyethyl)-2-methyl-3-[4-(2-methylimidazol-1-yl)butyl]guanidine
SMILESC/N=C(/NCCCCn1ccnc1C)NCCOC
InChIInChI=1S/C13H25N5O/c1-12-15-7-10-18(12)9-5-4-6-16-13(14-2)17-8-11-19-3/h7,10H,4-6,8-9,11H2,1-3H3,(H2,14,16,17)
InChIKeyHJHJBBLIGVQACG-UHFFFAOYSA-N
MW267.38 g/mol
LogP0.78
Rot. Bonds8

About 1-(2-methoxyethyl)-2-methyl-3-[4-(2-methylimidazol-1-yl)butyl]guanidine

1-(2-methoxyethyl)-2-methyl-3-[4-(2-methylimidazol-1-yl)butyl]guanidine (PubChem CID 111770568) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2-methyl-3-[4-(2-methylimidazol-1-yl)butyl]guanidine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2-methyl-3-[4-(2-methylimidazol-1-yl)butyl]guanidine
PubChem CID111770568
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name1-(2-methoxyethyl)-2-methyl-3-[4-(2-methylimidazol-1-yl)butyl]guanidine
SMILESC/N=C(/NCCCCn1ccnc1C)NCCOC
InChIInChI=1S/C13H25N5O/c1-12-15-7-10-18(12)9-5-4-6-16-13(14-2)17-8-11-19-3/h7,10H,4-6,8-9,11H2,1-3H3,(H2,14,16,17)
InChIKeyHJHJBBLIGVQACG-UHFFFAOYSA-N
XLogP0.78
TPSA63.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

2-methyl-1-[4-(2-methylimidazol-1-yl)butyl]-3-(7-methyloctyl)guanidine;hydroiodide
CID 111773389
2-methyl-1-[4-(2-methylimidazol-1-yl)butyl]-3-(2-piperidin-1-ylethyl)guanidine
CID 111776950
2-methyl-1-[4-(2-methylimidazol-1-yl)butyl]-3-[(4-methylphenyl)methyl]guanidine;hydroiodide
CID 111774055
1-[2-(cyclohexen-1-yl)ethyl]-2-methyl-3-[4-(2-methylimidazol-1-yl)butyl]guanidine
CID 111773412
1-[(3-chlorophenyl)methyl]-2-methyl-3-[4-(2-methylimidazol-1-yl)butyl]guanidine;hydroiodide
CID 111772853
2-methyl-1-[4-(2-methylimidazol-1-yl)butyl]-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111772275
2-methyl-1-[4-(2-methylimidazol-1-yl)butyl]-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111774841
1-butyl-2-methylimidazole;methyl hydrogen carbonate
CID 175255728
1-ethyl-3-[4-(2-methylimidazol-1-yl)butyl]-2-(3-phenoxypropyl)guanidine
CID 111776992
1-(2-methoxyethyl)-3-[3-(2-phenylimidazol-1-yl)propyl]urea
CID 71789054
2-methyl-1-[4-(2-methylimidazol-1-yl)butyl]-3-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111771623
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-[4-(2-methylimidazol-1-yl)butyl]guanidine
CID 111771578

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2-methyl-3-[4-(2-methylimidazol-1-yl)butyl]guanidine?
The IUPAC name of 1-(2-methoxyethyl)-2-methyl-3-[4-(2-methylimidazol-1-yl)butyl]guanidine (CID 111770568) is 1-(2-methoxyethyl)-2-methyl-3-[4-(2-methylimidazol-1-yl)butyl]guanidine.
What is the SMILES notation for 1-(2-methoxyethyl)-2-methyl-3-[4-(2-methylimidazol-1-yl)butyl]guanidine?
The canonical SMILES for 1-(2-methoxyethyl)-2-methyl-3-[4-(2-methylimidazol-1-yl)butyl]guanidine is C/N=C(/NCCCCn1ccnc1C)NCCOC.
What is the InChIKey of 1-(2-methoxyethyl)-2-methyl-3-[4-(2-methylimidazol-1-yl)butyl]guanidine?
The InChIKey is HJHJBBLIGVQACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-12-15-7-10-18(12)9-5-4-6-16-13(14-2)17-8-11-19-3/h7,10H,4-6,8-9,11H2,1-3H3,(H2,14,16,17).
What are the key properties of 1-(2-methoxyethyl)-2-methyl-3-[4-(2-methylimidazol-1-yl)butyl]guanidine?
1-(2-methoxyethyl)-2-methyl-3-[4-(2-methylimidazol-1-yl)butyl]guanidine has a molecular weight of 267.38 g/mol, XLogP of 0.78, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2-methyl-3-[4-(2-methylimidazol-1-yl)butyl]guanidine is sourced from PubChem (CID 111770568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).