2-(3-ethoxy-4-methylpentyl)-1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine

C17H38N4O2 — CID 111717382

IUPAC2-(3-ethoxy-4-methylpentyl)-1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine
SMILESCCN/C(=N\CCC(OCC)C(C)C)NCCN(C)CCOC
InChIInChI=1S/C17H38N4O2/c1-7-18-17(20-11-12-21(5)13-14-22-6)19-10-9-16(15(3)4)23-8-2/h15-16H,7-14H2,1-6H3,(H2,18,19,20)
InChIKeyYCLHYGYPVDUOBX-UHFFFAOYSA-N
MW330.52 g/mol
LogP1.57
Rot. Bonds13

About 2-(3-ethoxy-4-methylpentyl)-1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine

2-(3-ethoxy-4-methylpentyl)-1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine (PubChem CID 111717382) has the molecular formula C17H38N4O2 and a molecular weight of 330.52 g/mol. Its IUPAC name is 2-(3-ethoxy-4-methylpentyl)-1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine.

Molecular Properties

Compound Name2-(3-ethoxy-4-methylpentyl)-1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine
PubChem CID111717382
Molecular FormulaC17H38N4O2
Molecular Weight330.52 g/mol
Exact Mass330.30
IUPAC Name2-(3-ethoxy-4-methylpentyl)-1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine
SMILESCCN/C(=N\CCC(OCC)C(C)C)NCCN(C)CCOC
InChIInChI=1S/C17H38N4O2/c1-7-18-17(20-11-12-21(5)13-14-22-6)19-10-9-16(15(3)4)23-8-2/h15-16H,7-14H2,1-6H3,(H2,18,19,20)
InChIKeyYCLHYGYPVDUOBX-UHFFFAOYSA-N
XLogP1.57
TPSA58.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 51.57
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-(3-methylbutyl)guanidine;hydroiodide
CID 110978118
1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(5-methylhexyl)guanidine;hydroiodide
CID 111579894
1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine
CID 111180437
methyl 3-[[N'-(3-ethoxy-4-methylpentyl)-N-ethylcarbamimidoyl]amino]propanoate
CID 111718420
2-[3-(dimethylamino)propyl]-1-(3-ethoxy-4-methylpentyl)-3-ethylguanidine;hydroiodide
CID 111717913
2-(3-ethoxy-4-methylpentyl)-1-ethyl-3-prop-2-enylguanidine
CID 136926183
1-ethyl-2-(2-methoxy-3,3-dimethylbutyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine
CID 111709949
1-butyl-3-ethyl-2-[3-[2-methoxyethyl(methyl)amino]propyl]guanidine
CID 111151522
N-[2-[[N'-(3-ethoxy-4-methylpentyl)-N-ethylcarbamimidoyl]amino]ethyl]benzamide
CID 111717016
1-ethyl-2-[2-[ethyl(methyl)amino]ethyl]-3-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine
CID 111652560
2-(4-ethoxybutyl)-1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine
CID 111652936
2-[3-(cyclopropylmethoxy)propyl]-1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine
CID 111391243

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-4-methylpentyl)-1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine?
The IUPAC name of 2-(3-ethoxy-4-methylpentyl)-1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine (CID 111717382) is 2-(3-ethoxy-4-methylpentyl)-1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine.
What is the SMILES notation for 2-(3-ethoxy-4-methylpentyl)-1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine?
The canonical SMILES for 2-(3-ethoxy-4-methylpentyl)-1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine is CCN/C(=N\CCC(OCC)C(C)C)NCCN(C)CCOC.
What is the InChIKey of 2-(3-ethoxy-4-methylpentyl)-1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine?
The InChIKey is YCLHYGYPVDUOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38N4O2/c1-7-18-17(20-11-12-21(5)13-14-22-6)19-10-9-16(15(3)4)23-8-2/h15-16H,7-14H2,1-6H3,(H2,18,19,20).
What are the key properties of 2-(3-ethoxy-4-methylpentyl)-1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine?
2-(3-ethoxy-4-methylpentyl)-1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine has a molecular weight of 330.52 g/mol, XLogP of 1.57, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxy-4-methylpentyl)-1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine is sourced from PubChem (CID 111717382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).