1-ethyl-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-(3-pyrazol-1-ylpropyl)guanidine

C19H36N6 — CID 111906425

IUPAC1-ethyl-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-(3-pyrazol-1-ylpropyl)guanidine
SMILESCCN/C(=N\CC(C)(C)N1CCCC(C)C1)NCCCn1cccn1
InChIInChI=1S/C19H36N6/c1-5-20-18(21-10-7-13-25-14-8-11-23-25)22-16-19(3,4)24-12-6-9-17(2)15-24/h8,11,14,17H,5-7,9-10,12-13,15-16H2,1-4H3,(H2,20,21,22)
InChIKeyFVGFZLQEAMCKAM-UHFFFAOYSA-N
MW348.54 g/mol
LogP2.34
Rot. Bonds8

About 1-ethyl-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-(3-pyrazol-1-ylpropyl)guanidine

1-ethyl-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-(3-pyrazol-1-ylpropyl)guanidine (PubChem CID 111906425) has the molecular formula C19H36N6 and a molecular weight of 348.54 g/mol. Its IUPAC name is 1-ethyl-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-(3-pyrazol-1-ylpropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-(3-pyrazol-1-ylpropyl)guanidine
PubChem CID111906425
Molecular FormulaC19H36N6
Molecular Weight348.54 g/mol
Exact Mass348.30
IUPAC Name1-ethyl-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-(3-pyrazol-1-ylpropyl)guanidine
SMILESCCN/C(=N\CC(C)(C)N1CCCC(C)C1)NCCCn1cccn1
InChIInChI=1S/C19H36N6/c1-5-20-18(21-10-7-13-25-14-8-11-23-25)22-16-19(3,4)24-12-6-9-17(2)15-24/h8,11,14,17H,5-7,9-10,12-13,15-16H2,1-4H3,(H2,20,21,22)
InChIKeyFVGFZLQEAMCKAM-UHFFFAOYSA-N
XLogP2.34
TPSA57.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.54
LogP ≤ 52.34
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'}

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Related Compounds

1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(3-pyrazol-1-ylpropyl)guanidine
CID 111315660
1-(4-ethoxybutyl)-3-ethyl-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine
CID 111946003
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-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111194343
1-ethyl-2-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111906434
1-ethyl-2-(2-methoxy-2-methylpropyl)-3-(3-pyrazol-1-ylpropyl)guanidine
CID 111605693
1-ethyl-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine
CID 111408181
1-ethyl-2-(2-methyl-2-methylsulfanylpropyl)-3-(3-pyrazol-1-ylpropyl)guanidine
CID 111609738
1-ethyl-3-(2-methylcyclopropyl)-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine
CID 111963363
N',3-dimethyl-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboximidamide
CID 111143810
1-ethyl-2-[(1-methylpyrrolidin-3-yl)methyl]-3-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111905598
1-ethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111905194

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-(3-pyrazol-1-ylpropyl)guanidine?
The IUPAC name of 1-ethyl-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-(3-pyrazol-1-ylpropyl)guanidine (CID 111906425) is 1-ethyl-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-(3-pyrazol-1-ylpropyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-(3-pyrazol-1-ylpropyl)guanidine?
The canonical SMILES for 1-ethyl-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-(3-pyrazol-1-ylpropyl)guanidine is CCN/C(=N\CC(C)(C)N1CCCC(C)C1)NCCCn1cccn1.
What is the InChIKey of 1-ethyl-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-(3-pyrazol-1-ylpropyl)guanidine?
The InChIKey is FVGFZLQEAMCKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N6/c1-5-20-18(21-10-7-13-25-14-8-11-23-25)22-16-19(3,4)24-12-6-9-17(2)15-24/h8,11,14,17H,5-7,9-10,12-13,15-16H2,1-4H3,(H2,20,21,22).
What are the key properties of 1-ethyl-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-(3-pyrazol-1-ylpropyl)guanidine?
1-ethyl-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-(3-pyrazol-1-ylpropyl)guanidine has a molecular weight of 348.54 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-(3-pyrazol-1-ylpropyl)guanidine is sourced from PubChem (CID 111906425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).