1-ethyl-3-[2-(1-ethylpiperidin-4-yl)ethyl]-2-[3-(2-methylpropoxy)propyl]guanidine

C19H40N4O — CID 111787119

IUPAC1-ethyl-3-[2-(1-ethylpiperidin-4-yl)ethyl]-2-[3-(2-methylpropoxy)propyl]guanidine
SMILESCCN/C(=N\CCCOCC(C)C)NCCC1CCN(CC)CC1
InChIInChI=1S/C19H40N4O/c1-5-20-19(21-11-7-15-24-16-17(3)4)22-12-8-18-9-13-23(6-2)14-10-18/h17-18H,5-16H2,1-4H3,(H2,20,21,22)
InChIKeyYLGVRSZUCMDVLK-UHFFFAOYSA-N
MW340.56 g/mol
LogP2.73
Rot. Bonds11

About 1-ethyl-3-[2-(1-ethylpiperidin-4-yl)ethyl]-2-[3-(2-methylpropoxy)propyl]guanidine

1-ethyl-3-[2-(1-ethylpiperidin-4-yl)ethyl]-2-[3-(2-methylpropoxy)propyl]guanidine (PubChem CID 111787119) has the molecular formula C19H40N4O and a molecular weight of 340.56 g/mol. Its IUPAC name is 1-ethyl-3-[2-(1-ethylpiperidin-4-yl)ethyl]-2-[3-(2-methylpropoxy)propyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-[2-(1-ethylpiperidin-4-yl)ethyl]-2-[3-(2-methylpropoxy)propyl]guanidine
PubChem CID111787119
Molecular FormulaC19H40N4O
Molecular Weight340.56 g/mol
Exact Mass340.32
IUPAC Name1-ethyl-3-[2-(1-ethylpiperidin-4-yl)ethyl]-2-[3-(2-methylpropoxy)propyl]guanidine
SMILESCCN/C(=N\CCCOCC(C)C)NCCC1CCN(CC)CC1
InChIInChI=1S/C19H40N4O/c1-5-20-19(21-11-7-15-24-16-17(3)4)22-12-8-18-9-13-23(6-2)14-10-18/h17-18H,5-16H2,1-4H3,(H2,20,21,22)
InChIKeyYLGVRSZUCMDVLK-UHFFFAOYSA-N
XLogP2.73
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.56
LogP ≤ 52.73
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

2-(3-butoxypropyl)-1-ethyl-3-[2-(1-ethylpiperidin-4-yl)ethyl]guanidine;hydroiodide
CID 111783073
1-ethyl-3-[2-(1-ethylpiperidin-4-yl)ethyl]-2-[3-(4-methylpiperidin-1-yl)propyl]guanidine
CID 111786671
1-ethyl-3-[2-(2-methylpropoxy)ethyl]-2-[3-(2-methylpropoxy)propyl]guanidine
CID 111402359
2-[3-(azepan-1-yl)propyl]-1-ethyl-3-[2-(1-ethylpiperidin-4-yl)ethyl]guanidine;hydroiodide
CID 111784978
2-[3-(cyclopropylmethoxy)propyl]-1-ethyl-3-[2-(2-methylpropoxy)ethyl]guanidine
CID 111392977
1-ethyl-2-[3-(2-methylpropoxy)propyl]-3-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111402186
1-ethyl-2-(3-methoxypropyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]guanidine
CID 110974125
1-ethyl-3-[3-(2-methylpropoxy)propyl]-2-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111401796
1-ethyl-3-(3-methylbutyl)-2-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide
CID 110979110
1-ethyl-2-[3-(2-methylpropoxy)propyl]-3-pentylguanidine
CID 111129521
1-ethyl-2-[3-(2-methylpropoxy)propyl]-3-(3-morpholin-4-ylpropyl)guanidine
CID 110972815
2-[3-(cyclopropylmethoxy)propyl]-1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]guanidine
CID 111391459

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(1-ethylpiperidin-4-yl)ethyl]-2-[3-(2-methylpropoxy)propyl]guanidine?
The IUPAC name of 1-ethyl-3-[2-(1-ethylpiperidin-4-yl)ethyl]-2-[3-(2-methylpropoxy)propyl]guanidine (CID 111787119) is 1-ethyl-3-[2-(1-ethylpiperidin-4-yl)ethyl]-2-[3-(2-methylpropoxy)propyl]guanidine.
What is the SMILES notation for 1-ethyl-3-[2-(1-ethylpiperidin-4-yl)ethyl]-2-[3-(2-methylpropoxy)propyl]guanidine?
The canonical SMILES for 1-ethyl-3-[2-(1-ethylpiperidin-4-yl)ethyl]-2-[3-(2-methylpropoxy)propyl]guanidine is CCN/C(=N\CCCOCC(C)C)NCCC1CCN(CC)CC1.
What is the InChIKey of 1-ethyl-3-[2-(1-ethylpiperidin-4-yl)ethyl]-2-[3-(2-methylpropoxy)propyl]guanidine?
The InChIKey is YLGVRSZUCMDVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N4O/c1-5-20-19(21-11-7-15-24-16-17(3)4)22-12-8-18-9-13-23(6-2)14-10-18/h17-18H,5-16H2,1-4H3,(H2,20,21,22).
What are the key properties of 1-ethyl-3-[2-(1-ethylpiperidin-4-yl)ethyl]-2-[3-(2-methylpropoxy)propyl]guanidine?
1-ethyl-3-[2-(1-ethylpiperidin-4-yl)ethyl]-2-[3-(2-methylpropoxy)propyl]guanidine has a molecular weight of 340.56 g/mol, XLogP of 2.73, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(1-ethylpiperidin-4-yl)ethyl]-2-[3-(2-methylpropoxy)propyl]guanidine is sourced from PubChem (CID 111787119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).