1-(3-ethoxypropyl)-2-methyl-3-[2-(3-methylmorpholin-4-yl)propyl]guanidine

C15H32N4O2 — CID 111836401

IUPAC1-(3-ethoxypropyl)-2-methyl-3-[2-(3-methylmorpholin-4-yl)propyl]guanidine
SMILESCCOCCCN/C(=N\C)NCC(C)N1CCOCC1C
InChIInChI=1S/C15H32N4O2/c1-5-20-9-6-7-17-15(16-4)18-11-13(2)19-8-10-21-12-14(19)3/h13-14H,5-12H2,1-4H3,(H2,16,17,18)
InChIKeyFCCOTTYPMJQWIE-UHFFFAOYSA-N
MW300.45 g/mol
LogP0.69
Rot. Bonds8

About 1-(3-ethoxypropyl)-2-methyl-3-[2-(3-methylmorpholin-4-yl)propyl]guanidine

1-(3-ethoxypropyl)-2-methyl-3-[2-(3-methylmorpholin-4-yl)propyl]guanidine (PubChem CID 111836401) has the molecular formula C15H32N4O2 and a molecular weight of 300.45 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-2-methyl-3-[2-(3-methylmorpholin-4-yl)propyl]guanidine.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-2-methyl-3-[2-(3-methylmorpholin-4-yl)propyl]guanidine
PubChem CID111836401
Molecular FormulaC15H32N4O2
Molecular Weight300.45 g/mol
Exact Mass300.25
IUPAC Name1-(3-ethoxypropyl)-2-methyl-3-[2-(3-methylmorpholin-4-yl)propyl]guanidine
SMILESCCOCCCN/C(=N\C)NCC(C)N1CCOCC1C
InChIInChI=1S/C15H32N4O2/c1-5-20-9-6-7-17-15(16-4)18-11-13(2)19-8-10-21-12-14(19)3/h13-14H,5-12H2,1-4H3,(H2,16,17,18)
InChIKeyFCCOTTYPMJQWIE-UHFFFAOYSA-N
XLogP0.69
TPSA58.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 50.69
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

2-methyl-1-[2-(3-methylmorpholin-4-yl)propyl]-3-pentylguanidine;hydroiodide
CID 111834776
2-methyl-1-[2-(3-methylmorpholin-4-yl)propyl]-3-[3-(4-methylpiperidin-1-yl)propyl]guanidine
CID 111839631
2-methyl-1-[2-(3-methylmorpholin-4-yl)propyl]-3-(2-methylsulfanylethyl)guanidine
CID 111838575
2-methyl-1-[2-(3-methylmorpholin-4-yl)propyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111839210
1-(3-ethoxypropyl)-2-methyl-3-[2-(4-methylpiperidin-1-yl)propyl]guanidine
CID 111224551
1-[3-(4-fluorophenyl)sulfanylpropyl]-2-methyl-3-[2-(3-methylmorpholin-4-yl)propyl]guanidine
CID 111837832
2-methyl-1-[2-(2-methylpiperidin-1-yl)propyl]-3-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide
CID 111402496
2-methyl-1-(4-methylcyclohexyl)-3-[2-(3-methylmorpholin-4-yl)propyl]guanidine;hydroiodide
CID 111837100
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[2-(3-methylmorpholin-4-yl)propyl]guanidine
CID 109470506
1-(3-ethoxypropyl)-2-methyl-3-[2-(3-methylpiperidin-1-yl)propyl]guanidine
CID 111221785
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[2-(3-methylmorpholin-4-yl)propyl]guanidine;hydroiodide
CID 109470505
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-[2-(3-methylmorpholin-4-yl)propyl]guanidine
CID 111836239

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-2-methyl-3-[2-(3-methylmorpholin-4-yl)propyl]guanidine?
The IUPAC name of 1-(3-ethoxypropyl)-2-methyl-3-[2-(3-methylmorpholin-4-yl)propyl]guanidine (CID 111836401) is 1-(3-ethoxypropyl)-2-methyl-3-[2-(3-methylmorpholin-4-yl)propyl]guanidine.
What is the SMILES notation for 1-(3-ethoxypropyl)-2-methyl-3-[2-(3-methylmorpholin-4-yl)propyl]guanidine?
The canonical SMILES for 1-(3-ethoxypropyl)-2-methyl-3-[2-(3-methylmorpholin-4-yl)propyl]guanidine is CCOCCCN/C(=N\C)NCC(C)N1CCOCC1C.
What is the InChIKey of 1-(3-ethoxypropyl)-2-methyl-3-[2-(3-methylmorpholin-4-yl)propyl]guanidine?
The InChIKey is FCCOTTYPMJQWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4O2/c1-5-20-9-6-7-17-15(16-4)18-11-13(2)19-8-10-21-12-14(19)3/h13-14H,5-12H2,1-4H3,(H2,16,17,18).
What are the key properties of 1-(3-ethoxypropyl)-2-methyl-3-[2-(3-methylmorpholin-4-yl)propyl]guanidine?
1-(3-ethoxypropyl)-2-methyl-3-[2-(3-methylmorpholin-4-yl)propyl]guanidine has a molecular weight of 300.45 g/mol, XLogP of 0.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-2-methyl-3-[2-(3-methylmorpholin-4-yl)propyl]guanidine is sourced from PubChem (CID 111836401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).