1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(3-ethoxypropyl)-3-ethylguanidine

C18H38N4O — CID 111224529

IUPAC1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(3-ethoxypropyl)-3-ethylguanidine
SMILESCCN/C(=N\CCCOCC)NCCCN1CC(C)CC(C)C1
InChIInChI=1S/C18H38N4O/c1-5-19-18(21-10-8-12-23-6-2)20-9-7-11-22-14-16(3)13-17(4)15-22/h16-17H,5-15H2,1-4H3,(H2,19,20,21)
InChIKeyUNACCCIPPMOGRL-UHFFFAOYSA-N
MW326.53 g/mol
LogP2.34
Rot. Bonds10

About 1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(3-ethoxypropyl)-3-ethylguanidine

1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(3-ethoxypropyl)-3-ethylguanidine (PubChem CID 111224529) has the molecular formula C18H38N4O and a molecular weight of 326.53 g/mol. Its IUPAC name is 1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(3-ethoxypropyl)-3-ethylguanidine.

Molecular Properties

Compound Name1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(3-ethoxypropyl)-3-ethylguanidine
PubChem CID111224529
Molecular FormulaC18H38N4O
Molecular Weight326.53 g/mol
Exact Mass326.30
IUPAC Name1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(3-ethoxypropyl)-3-ethylguanidine
SMILESCCN/C(=N\CCCOCC)NCCCN1CC(C)CC(C)C1
InChIInChI=1S/C18H38N4O/c1-5-19-18(21-10-8-12-23-6-2)20-9-7-11-22-14-16(3)13-17(4)15-22/h16-17H,5-15H2,1-4H3,(H2,19,20,21)
InChIKeyUNACCCIPPMOGRL-UHFFFAOYSA-N
XLogP2.34
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.53
LogP ≤ 52.34
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-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(3-ethoxypropyl)-3-ethylguanidine;hydroiodide
CID 111224528
2-(3-butoxypropyl)-1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-ethylguanidine
CID 111238939
1-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-(4-ethoxybutyl)-2-methylguanidine;hydroiodide
CID 111946144
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-ethyl-2-[3-(2-methylpropoxy)propyl]guanidine
CID 111401925
1-(2-ethoxyethyl)-2-(3-ethoxypropyl)-3-ethylguanidine
CID 111224057
2-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine
CID 111652578
1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-ethyl-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine;hydroiodide
CID 111146854
1-ethyl-3-[3-(4-methylpiperidin-1-yl)propyl]-2-(3-propan-2-yloxypropyl)guanidine
CID 111246701
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-ethyl-2-[3-(oxan-4-ylmethoxy)propyl]guanidine
CID 111642986
2-[3-(cyclopropylmethoxy)propyl]-1-ethyl-3-[4-(4-methylpiperidin-1-yl)butyl]guanidine
CID 111393165
2-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide
CID 136925487
2-(3-ethoxypropyl)-1-ethyl-3-[2-(2-methylpiperidin-1-yl)ethyl]guanidine
CID 111224525

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(3-ethoxypropyl)-3-ethylguanidine?
The IUPAC name of 1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(3-ethoxypropyl)-3-ethylguanidine (CID 111224529) is 1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(3-ethoxypropyl)-3-ethylguanidine.
What is the SMILES notation for 1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(3-ethoxypropyl)-3-ethylguanidine?
The canonical SMILES for 1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(3-ethoxypropyl)-3-ethylguanidine is CCN/C(=N\CCCOCC)NCCCN1CC(C)CC(C)C1.
What is the InChIKey of 1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(3-ethoxypropyl)-3-ethylguanidine?
The InChIKey is UNACCCIPPMOGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N4O/c1-5-19-18(21-10-8-12-23-6-2)20-9-7-11-22-14-16(3)13-17(4)15-22/h16-17H,5-15H2,1-4H3,(H2,19,20,21).
What are the key properties of 1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(3-ethoxypropyl)-3-ethylguanidine?
1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(3-ethoxypropyl)-3-ethylguanidine has a molecular weight of 326.53 g/mol, XLogP of 2.34, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(3-ethoxypropyl)-3-ethylguanidine is sourced from PubChem (CID 111224529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).