1-(4-ethoxybutyl)-3-ethyl-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine

C19H40N4O — CID 111946003

IUPAC1-(4-ethoxybutyl)-3-ethyl-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine
SMILESCCN/C(=N\CC(C)(C)N1CCCC(C)C1)NCCCCOCC
InChIInChI=1S/C19H40N4O/c1-6-20-18(21-12-8-9-14-24-7-2)22-16-19(4,5)23-13-10-11-17(3)15-23/h17H,6-16H2,1-5H3,(H2,20,21,22)
InChIKeyMEYHJPLIDVGPCK-UHFFFAOYSA-N
MW340.56 g/mol
LogP2.87
Rot. Bonds10

About 1-(4-ethoxybutyl)-3-ethyl-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine

1-(4-ethoxybutyl)-3-ethyl-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine (PubChem CID 111946003) has the molecular formula C19H40N4O and a molecular weight of 340.56 g/mol. Its IUPAC name is 1-(4-ethoxybutyl)-3-ethyl-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine.

Molecular Properties

Compound Name1-(4-ethoxybutyl)-3-ethyl-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine
PubChem CID111946003
Molecular FormulaC19H40N4O
Molecular Weight340.56 g/mol
Exact Mass340.32
IUPAC Name1-(4-ethoxybutyl)-3-ethyl-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine
SMILESCCN/C(=N\CC(C)(C)N1CCCC(C)C1)NCCCCOCC
InChIInChI=1S/C19H40N4O/c1-6-20-18(21-12-8-9-14-24-7-2)22-16-19(4,5)23-13-10-11-17(3)15-23/h17H,6-16H2,1-5H3,(H2,20,21,22)
InChIKeyMEYHJPLIDVGPCK-UHFFFAOYSA-N
XLogP2.87
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.56
LogP ≤ 52.87
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'}

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Related Compounds

1-ethyl-3-(2-methoxyethyl)-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 110939301
1-ethyl-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine
CID 111408181
1-(3-ethoxypropyl)-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine
CID 111080187
1-ethyl-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-(3-pyrazol-1-ylpropyl)guanidine
CID 111906425
1-ethyl-3-(2-methylcyclopropyl)-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine
CID 111963363
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-1-(4-ethoxybutyl)-3-ethylguanidine
CID 111943991
2-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-(2-ethoxyethyl)-3-ethylguanidine;hydroiodide
CID 111895638
1-ethyl-3-[3-(2-methoxyethoxy)propyl]-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine
CID 111320386
1-ethyl-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111194343
1-(4-ethoxybutyl)-3-ethyl-2-[(3-methylcyclohexyl)methyl]guanidine
CID 111944821
1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111672859
3-[2-[[N-ethyl-N'-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide;hydroiodide
CID 111670761

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxybutyl)-3-ethyl-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine?
The IUPAC name of 1-(4-ethoxybutyl)-3-ethyl-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine (CID 111946003) is 1-(4-ethoxybutyl)-3-ethyl-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine.
What is the SMILES notation for 1-(4-ethoxybutyl)-3-ethyl-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine?
The canonical SMILES for 1-(4-ethoxybutyl)-3-ethyl-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine is CCN/C(=N\CC(C)(C)N1CCCC(C)C1)NCCCCOCC.
What is the InChIKey of 1-(4-ethoxybutyl)-3-ethyl-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine?
The InChIKey is MEYHJPLIDVGPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N4O/c1-6-20-18(21-12-8-9-14-24-7-2)22-16-19(4,5)23-13-10-11-17(3)15-23/h17H,6-16H2,1-5H3,(H2,20,21,22).
What are the key properties of 1-(4-ethoxybutyl)-3-ethyl-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine?
1-(4-ethoxybutyl)-3-ethyl-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine has a molecular weight of 340.56 g/mol, XLogP of 2.87, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxybutyl)-3-ethyl-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine is sourced from PubChem (CID 111946003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).