1-(2-methoxyethyl)-2-methyl-3-(7-methyloctyl)guanidine

C14H31N3O — CID 110941010

IUPAC1-(2-methoxyethyl)-2-methyl-3-(7-methyloctyl)guanidine
SMILESC/N=C(/NCCCCCCC(C)C)NCCOC
InChIInChI=1S/C14H31N3O/c1-13(2)9-7-5-6-8-10-16-14(15-3)17-11-12-18-4/h13H,5-12H2,1-4H3,(H2,15,16,17)
InChIKeyXKCSXVCYICDDFD-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.40
Rot. Bonds10

About 1-(2-methoxyethyl)-2-methyl-3-(7-methyloctyl)guanidine

1-(2-methoxyethyl)-2-methyl-3-(7-methyloctyl)guanidine (PubChem CID 110941010) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2-methyl-3-(7-methyloctyl)guanidine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2-methyl-3-(7-methyloctyl)guanidine
PubChem CID110941010
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Name1-(2-methoxyethyl)-2-methyl-3-(7-methyloctyl)guanidine
SMILESC/N=C(/NCCCCCCC(C)C)NCCOC
InChIInChI=1S/C14H31N3O/c1-13(2)9-7-5-6-8-10-16-14(15-3)17-11-12-18-4/h13H,5-12H2,1-4H3,(H2,15,16,17)
InChIKeyXKCSXVCYICDDFD-UHFFFAOYSA-N
XLogP2.40
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.40
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'}

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Related Compounds

1-[4-(2-methoxyethoxy)butyl]-2-methyl-3-[2-(3-methylbutoxy)ethyl]guanidine
CID 111971648
methyl 5-[[N'-methyl-N-(7-methyloctyl)carbamimidoyl]amino]pentanoate
CID 111204694
1-(2-methoxyethyl)-2-methyl-3-(3-propan-2-yloxypropyl)guanidine
CID 110941208
1-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methyl-3-(4-methylpentyl)guanidine;hydroiodide
CID 111943140
1-(3-methoxypropyl)-2-methyl-3-(2-methylpropyl)guanidine
CID 110975003
1-(1-methoxypropan-2-yl)-2-methyl-3-(4-methylpentyl)guanidine
CID 111236637
1-[3-[di(propan-2-yl)amino]propyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 111692570
1-amino-2-methyl-3-(5-methylhexyl)guanidine
CID 104882389
1-[3-(2-methoxyethoxy)propyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 110942314
1-(2-methoxyethyl)-2-methyl-3-(4-methylsulfanylbutyl)guanidine;hydroiodide
CID 111626781
2-[[ethylamino-(5-methylhexylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 111580173
1-[[4-(methoxymethyl)phenyl]methyl]-2-methyl-3-(5-methylhexyl)guanidine;hydroiodide
CID 111579584

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2-methyl-3-(7-methyloctyl)guanidine?
The IUPAC name of 1-(2-methoxyethyl)-2-methyl-3-(7-methyloctyl)guanidine (CID 110941010) is 1-(2-methoxyethyl)-2-methyl-3-(7-methyloctyl)guanidine.
What is the SMILES notation for 1-(2-methoxyethyl)-2-methyl-3-(7-methyloctyl)guanidine?
The canonical SMILES for 1-(2-methoxyethyl)-2-methyl-3-(7-methyloctyl)guanidine is C/N=C(/NCCCCCCC(C)C)NCCOC.
What is the InChIKey of 1-(2-methoxyethyl)-2-methyl-3-(7-methyloctyl)guanidine?
The InChIKey is XKCSXVCYICDDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-13(2)9-7-5-6-8-10-16-14(15-3)17-11-12-18-4/h13H,5-12H2,1-4H3,(H2,15,16,17).
What are the key properties of 1-(2-methoxyethyl)-2-methyl-3-(7-methyloctyl)guanidine?
1-(2-methoxyethyl)-2-methyl-3-(7-methyloctyl)guanidine has a molecular weight of 257.42 g/mol, XLogP of 2.40, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2-methyl-3-(7-methyloctyl)guanidine is sourced from PubChem (CID 110941010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).