1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-ethyl-2-(2-methoxy-2-methylpropyl)guanidine

C17H36N4O — CID 111607971

IUPAC1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-ethyl-2-(2-methoxy-2-methylpropyl)guanidine
SMILESCCN/C(=N\CC(C)(C)OC)NCCN1CC(C)CC(C)C1
InChIInChI=1S/C17H36N4O/c1-7-18-16(20-13-17(4,5)22-6)19-8-9-21-11-14(2)10-15(3)12-21/h14-15H,7-13H2,1-6H3,(H2,18,19,20)
InChIKeyQQRPYZNMUHQWJM-UHFFFAOYSA-N
MW312.50 g/mol
LogP1.94
Rot. Bonds7

About 1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-ethyl-2-(2-methoxy-2-methylpropyl)guanidine

1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-ethyl-2-(2-methoxy-2-methylpropyl)guanidine (PubChem CID 111607971) has the molecular formula C17H36N4O and a molecular weight of 312.50 g/mol. Its IUPAC name is 1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-ethyl-2-(2-methoxy-2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-ethyl-2-(2-methoxy-2-methylpropyl)guanidine
PubChem CID111607971
Molecular FormulaC17H36N4O
Molecular Weight312.50 g/mol
Exact Mass312.29
IUPAC Name1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-ethyl-2-(2-methoxy-2-methylpropyl)guanidine
SMILESCCN/C(=N\CC(C)(C)OC)NCCN1CC(C)CC(C)C1
InChIInChI=1S/C17H36N4O/c1-7-18-16(20-13-17(4,5)22-6)19-8-9-21-11-14(2)10-15(3)12-21/h14-15H,7-13H2,1-6H3,(H2,18,19,20)
InChIKeyQQRPYZNMUHQWJM-UHFFFAOYSA-N
XLogP1.94
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(4-ethylpiperazin-1-yl)ethyl]-2-(2-methoxy-2-methylpropyl)guanidine;hydroiodide
CID 111607626
1-ethyl-3-(2-methoxyethyl)-2-(2-methoxy-2-methylpropyl)guanidine
CID 111606699
1-ethyl-2-(2-methoxy-2-methylpropyl)-3-(2-methylcyclopropyl)guanidine
CID 111608407
1-ethyl-2-(2-methoxy-2-methylpropyl)-3-[(1-methylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 111608392
1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-(2-methoxy-2-methylpropyl)guanidine
CID 111606073
1-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)guanidine
CID 111657862
1-ethyl-2-(2-methyl-2-methylsulfanylpropyl)-3-[2-(3-methylpiperidin-1-yl)ethyl]guanidine
CID 111610914
N-tert-butyl-2-[[[3-(3,5-dimethylpiperidin-1-yl)propylamino]-(ethylamino)methylidene]amino]acetamide
CID 111385728
1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine
CID 110937460
1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-ethyl-2-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 111955626
1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(3-ethoxypropyl)-3-ethylguanidine
CID 111224529
1-ethyl-2-(2-methoxy-2-methylpropyl)-3-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide
CID 111607382

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-ethyl-2-(2-methoxy-2-methylpropyl)guanidine?
The IUPAC name of 1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-ethyl-2-(2-methoxy-2-methylpropyl)guanidine (CID 111607971) is 1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-ethyl-2-(2-methoxy-2-methylpropyl)guanidine.
What is the SMILES notation for 1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-ethyl-2-(2-methoxy-2-methylpropyl)guanidine?
The canonical SMILES for 1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-ethyl-2-(2-methoxy-2-methylpropyl)guanidine is CCN/C(=N\CC(C)(C)OC)NCCN1CC(C)CC(C)C1.
What is the InChIKey of 1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-ethyl-2-(2-methoxy-2-methylpropyl)guanidine?
The InChIKey is QQRPYZNMUHQWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N4O/c1-7-18-16(20-13-17(4,5)22-6)19-8-9-21-11-14(2)10-15(3)12-21/h14-15H,7-13H2,1-6H3,(H2,18,19,20).
What are the key properties of 1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-ethyl-2-(2-methoxy-2-methylpropyl)guanidine?
1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-ethyl-2-(2-methoxy-2-methylpropyl)guanidine has a molecular weight of 312.50 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-ethyl-2-(2-methoxy-2-methylpropyl)guanidine is sourced from PubChem (CID 111607971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).