1-ethyl-2-(2-methoxy-3,3-dimethylbutyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine

C16H36N4O2 — CID 111709949

IUPAC1-ethyl-2-(2-methoxy-3,3-dimethylbutyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine
SMILESCCN/C(=N\CC(OC)C(C)(C)C)NCCN(C)CCOC
InChIInChI=1S/C16H36N4O2/c1-8-17-15(18-9-10-20(5)11-12-21-6)19-13-14(22-7)16(2,3)4/h14H,8-13H2,1-7H3,(H2,17,18,19)
InChIKeyUJFIXLOYTIAAFK-UHFFFAOYSA-N
MW316.49 g/mol
LogP1.18
Rot. Bonds10

About 1-ethyl-2-(2-methoxy-3,3-dimethylbutyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine

1-ethyl-2-(2-methoxy-3,3-dimethylbutyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine (PubChem CID 111709949) has the molecular formula C16H36N4O2 and a molecular weight of 316.49 g/mol. Its IUPAC name is 1-ethyl-2-(2-methoxy-3,3-dimethylbutyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-(2-methoxy-3,3-dimethylbutyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine
PubChem CID111709949
Molecular FormulaC16H36N4O2
Molecular Weight316.49 g/mol
Exact Mass316.28
IUPAC Name1-ethyl-2-(2-methoxy-3,3-dimethylbutyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine
SMILESCCN/C(=N\CC(OC)C(C)(C)C)NCCN(C)CCOC
InChIInChI=1S/C16H36N4O2/c1-8-17-15(18-9-10-20(5)11-12-21-6)19-13-14(22-7)16(2,3)4/h14H,8-13H2,1-7H3,(H2,17,18,19)
InChIKeyUJFIXLOYTIAAFK-UHFFFAOYSA-N
XLogP1.18
TPSA58.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine
CID 111180437
1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(3-methylbutyl)guanidine;hydroiodide
CID 110978118
N-[2-[[N-ethyl-N'-(2-methoxy-3,3-dimethylbutyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 111709932
2-(3-ethoxy-4-methylpentyl)-1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine
CID 111717382
1-ethyl-2-(2-methoxy-3,3-dimethylbutyl)-3-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide
CID 111709900
1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(5-methylhexyl)guanidine;hydroiodide
CID 111579894
1-ethyl-2-(3-hydroxy-2-phenylpropyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 109409494
1-ethyl-2-[2-(2-hydroxyethyl)pentyl]-3-[3-[2-methoxyethyl(methyl)amino]propyl]guanidine
CID 111712396
2-[3-(cyclopropylmethoxy)propyl]-1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine
CID 111391243
1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-(2-phenylpropyl)guanidine
CID 111652056
1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine
CID 111935563
ethyl 7-[[N-ethyl-N'-(2-methoxy-3,3-dimethylbutyl)carbamimidoyl]amino]heptanoate;hydroiodide
CID 111709892

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-methoxy-3,3-dimethylbutyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine?
The IUPAC name of 1-ethyl-2-(2-methoxy-3,3-dimethylbutyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine (CID 111709949) is 1-ethyl-2-(2-methoxy-3,3-dimethylbutyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine.
What is the SMILES notation for 1-ethyl-2-(2-methoxy-3,3-dimethylbutyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine?
The canonical SMILES for 1-ethyl-2-(2-methoxy-3,3-dimethylbutyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine is CCN/C(=N\CC(OC)C(C)(C)C)NCCN(C)CCOC.
What is the InChIKey of 1-ethyl-2-(2-methoxy-3,3-dimethylbutyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine?
The InChIKey is UJFIXLOYTIAAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N4O2/c1-8-17-15(18-9-10-20(5)11-12-21-6)19-13-14(22-7)16(2,3)4/h14H,8-13H2,1-7H3,(H2,17,18,19).
What are the key properties of 1-ethyl-2-(2-methoxy-3,3-dimethylbutyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine?
1-ethyl-2-(2-methoxy-3,3-dimethylbutyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine has a molecular weight of 316.49 g/mol, XLogP of 1.18, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2-methoxy-3,3-dimethylbutyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine is sourced from PubChem (CID 111709949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).