1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine

C19H41N5O — CID 111652146

IUPAC1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine
SMILESCCN/C(=N\CC(C)N1CCCC(C)C1)NCCN(C)CCCOC
InChIInChI=1S/C19H41N5O/c1-6-20-19(21-10-13-23(4)11-8-14-25-5)22-15-18(3)24-12-7-9-17(2)16-24/h17-18H,6-16H2,1-5H3,(H2,20,21,22)
InChIKeyBREVZOCRAQJVQV-UHFFFAOYSA-N
MW355.57 g/mol
LogP1.63
Rot. Bonds11

About 1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine

1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine (PubChem CID 111652146) has the molecular formula C19H41N5O and a molecular weight of 355.57 g/mol. Its IUPAC name is 1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine
PubChem CID111652146
Molecular FormulaC19H41N5O
Molecular Weight355.57 g/mol
Exact Mass355.33
IUPAC Name1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine
SMILESCCN/C(=N\CC(C)N1CCCC(C)C1)NCCN(C)CCCOC
InChIInChI=1S/C19H41N5O/c1-6-20-19(21-10-13-23(4)11-8-14-25-5)22-15-18(3)24-12-7-9-17(2)16-24/h17-18H,6-16H2,1-5H3,(H2,20,21,22)
InChIKeyBREVZOCRAQJVQV-UHFFFAOYSA-N
XLogP1.63
TPSA52.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.57
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

Analyze 1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-[2-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111653673
1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-[4-(3-methylpiperidin-1-yl)butyl]guanidine
CID 111652568
1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-(2-pyrrolidin-1-ylbutyl)guanidine
CID 111652150
1-ethyl-3-(1-methoxypropan-2-yl)-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine
CID 111234307
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 111651147
1-ethyl-2-[2-(3-methylpiperidin-1-yl)propyl]-3-prop-2-ynylguanidine
CID 111849107
1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-[3-(4-methylpiperidin-1-yl)propyl]guanidine
CID 111651500
1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine
CID 111652426
2-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine
CID 111652578
1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111652857
1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine
CID 111180437
1-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-methyl-3-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 111653521

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine?
The IUPAC name of 1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine (CID 111652146) is 1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine.
What is the SMILES notation for 1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine?
The canonical SMILES for 1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine is CCN/C(=N\CC(C)N1CCCC(C)C1)NCCN(C)CCCOC.
What is the InChIKey of 1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine?
The InChIKey is BREVZOCRAQJVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41N5O/c1-6-20-19(21-10-13-23(4)11-8-14-25-5)22-15-18(3)24-12-7-9-17(2)16-24/h17-18H,6-16H2,1-5H3,(H2,20,21,22).
What are the key properties of 1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine?
1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine has a molecular weight of 355.57 g/mol, XLogP of 1.63, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine is sourced from PubChem (CID 111652146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).