2-(3-butoxypropyl)-1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-ethylguanidine

C19H40N4O2 — CID 111238939

IUPAC2-(3-butoxypropyl)-1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-ethylguanidine
SMILESCCCCOCCC/N=C(\NCC)NCCCN1CC(C)OC(C)C1
InChIInChI=1S/C19H40N4O2/c1-5-7-13-24-14-9-11-22-19(20-6-2)21-10-8-12-23-15-17(3)25-18(4)16-23/h17-18H,5-16H2,1-4H3,(H2,20,21,22)
InChIKeyAARYXLJCIOKAQN-UHFFFAOYSA-N
MW356.56 g/mol
LogP2.25
Rot. Bonds12

About 2-(3-butoxypropyl)-1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-ethylguanidine

2-(3-butoxypropyl)-1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-ethylguanidine (PubChem CID 111238939) has the molecular formula C19H40N4O2 and a molecular weight of 356.56 g/mol. Its IUPAC name is 2-(3-butoxypropyl)-1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-ethylguanidine.

Molecular Properties

Compound Name2-(3-butoxypropyl)-1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-ethylguanidine
PubChem CID111238939
Molecular FormulaC19H40N4O2
Molecular Weight356.56 g/mol
Exact Mass356.32
IUPAC Name2-(3-butoxypropyl)-1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-ethylguanidine
SMILESCCCCOCCC/N=C(\NCC)NCCCN1CC(C)OC(C)C1
InChIInChI=1S/C19H40N4O2/c1-5-7-13-24-14-9-11-22-19(20-6-2)21-10-8-12-23-15-17(3)25-18(4)16-23/h17-18H,5-16H2,1-4H3,(H2,20,21,22)
InChIKeyAARYXLJCIOKAQN-UHFFFAOYSA-N
XLogP2.25
TPSA58.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.56
LogP ≤ 52.25
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-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-ethyl-2-[3-(2-methylpropoxy)propyl]guanidine
CID 111401925
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-ethyl-2-[3-(oxan-4-ylmethoxy)propyl]guanidine
CID 111642986
1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(3-ethoxypropyl)-3-ethylguanidine
CID 111224529
1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(3-ethoxypropyl)-3-ethylguanidine;hydroiodide
CID 111224528
2-[3-(2,6-dimethylmorpholin-4-yl)propyl]-1-ethyl-3-[2-(4-methoxyphenyl)ethyl]guanidine
CID 111171018
1-cyclopropyl-2-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-ethylguanidine;hydroiodide
CID 110989368
1-[2-(2-butoxyethoxy)ethyl]-3-ethyl-2-[3-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111693393
1-[2-(2-butoxyethoxy)ethyl]-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine
CID 111494360
2-(3-butoxypropyl)-1-ethyl-3-[3-(methanesulfonamido)propyl]guanidine
CID 111239425
1-[2-(2-butoxyethoxy)ethyl]-2-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-ethylguanidine
CID 111693892
1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-ethyl-2-pentylguanidine;hydroiodide
CID 111129885
2-(3-butoxypropyl)-1-(3-cyclopentyloxypropyl)-3-ethylguanidine
CID 111238739

Frequently Asked Questions

What is the IUPAC name of 2-(3-butoxypropyl)-1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-ethylguanidine?
The IUPAC name of 2-(3-butoxypropyl)-1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-ethylguanidine (CID 111238939) is 2-(3-butoxypropyl)-1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-ethylguanidine.
What is the SMILES notation for 2-(3-butoxypropyl)-1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-ethylguanidine?
The canonical SMILES for 2-(3-butoxypropyl)-1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-ethylguanidine is CCCCOCCC/N=C(\NCC)NCCCN1CC(C)OC(C)C1.
What is the InChIKey of 2-(3-butoxypropyl)-1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-ethylguanidine?
The InChIKey is AARYXLJCIOKAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N4O2/c1-5-7-13-24-14-9-11-22-19(20-6-2)21-10-8-12-23-15-17(3)25-18(4)16-23/h17-18H,5-16H2,1-4H3,(H2,20,21,22).
What are the key properties of 2-(3-butoxypropyl)-1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-ethylguanidine?
2-(3-butoxypropyl)-1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-ethylguanidine has a molecular weight of 356.56 g/mol, XLogP of 2.25, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butoxypropyl)-1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-ethylguanidine is sourced from PubChem (CID 111238939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).