2-(3-morpholin-4-ylpropyl)-1-[2-(oxan-2-yl)ethyl]guanidine

C15H30N4O2 — CID 110018736

IUPAC2-(3-morpholin-4-ylpropyl)-1-[2-(oxan-2-yl)ethyl]guanidine
SMILESN/C(=N\CCCN1CCOCC1)NCCC1CCCCO1
InChIInChI=1S/C15H30N4O2/c16-15(18-7-5-14-4-1-2-11-21-14)17-6-3-8-19-9-12-20-13-10-19/h14H,1-13H2,(H3,16,17,18)
InChIKeyPLXQPUSXVSMYSJ-UHFFFAOYSA-N
MW298.43 g/mol
LogP0.57
Rot. Bonds7

About 2-(3-morpholin-4-ylpropyl)-1-[2-(oxan-2-yl)ethyl]guanidine

2-(3-morpholin-4-ylpropyl)-1-[2-(oxan-2-yl)ethyl]guanidine (PubChem CID 110018736) has the molecular formula C15H30N4O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-(3-morpholin-4-ylpropyl)-1-[2-(oxan-2-yl)ethyl]guanidine.

Molecular Properties

Compound Name2-(3-morpholin-4-ylpropyl)-1-[2-(oxan-2-yl)ethyl]guanidine
PubChem CID110018736
Molecular FormulaC15H30N4O2
Molecular Weight298.43 g/mol
Exact Mass298.24
IUPAC Name2-(3-morpholin-4-ylpropyl)-1-[2-(oxan-2-yl)ethyl]guanidine
SMILESN/C(=N\CCCN1CCOCC1)NCCC1CCCCO1
InChIInChI=1S/C15H30N4O2/c16-15(18-7-5-14-4-1-2-11-21-14)17-6-3-8-19-9-12-20-13-10-19/h14H,1-13H2,(H3,16,17,18)
InChIKeyPLXQPUSXVSMYSJ-UHFFFAOYSA-N
XLogP0.57
TPSA72.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 50.57
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-(3-morpholin-4-ylpropyl)-1-[2-(oxolan-2-yl)ethyl]guanidine
CID 111041853
1-(3-cyclopentylpropyl)-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111062761
1-[2-(azepan-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111057007
1-[2-(3-methylcyclohexyl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111558248
1-[2-[cyclopentyl(methyl)amino]ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111804104
1-[2-(4-methylpiperidin-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111056682
2-octyl-1-[2-(oxolan-2-yl)ethyl]guanidine
CID 111041837
1-[2-(3-methylpiperidin-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 111056854
2-(3-ethoxypropyl)-1-[2-(oxolan-2-yl)ethyl]guanidine
CID 111041849
2-[3-(3-methylpiperidin-1-yl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111056935
1,2-bis(2-morpholin-4-ylethyl)guanidine
CID 141003386
1-(4-methylpentyl)-2-(3-morpholin-4-ylpropyl)guanidine
CID 111054905

Frequently Asked Questions

What is the IUPAC name of 2-(3-morpholin-4-ylpropyl)-1-[2-(oxan-2-yl)ethyl]guanidine?
The IUPAC name of 2-(3-morpholin-4-ylpropyl)-1-[2-(oxan-2-yl)ethyl]guanidine (CID 110018736) is 2-(3-morpholin-4-ylpropyl)-1-[2-(oxan-2-yl)ethyl]guanidine.
What is the SMILES notation for 2-(3-morpholin-4-ylpropyl)-1-[2-(oxan-2-yl)ethyl]guanidine?
The canonical SMILES for 2-(3-morpholin-4-ylpropyl)-1-[2-(oxan-2-yl)ethyl]guanidine is N/C(=N\CCCN1CCOCC1)NCCC1CCCCO1.
What is the InChIKey of 2-(3-morpholin-4-ylpropyl)-1-[2-(oxan-2-yl)ethyl]guanidine?
The InChIKey is PLXQPUSXVSMYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O2/c16-15(18-7-5-14-4-1-2-11-21-14)17-6-3-8-19-9-12-20-13-10-19/h14H,1-13H2,(H3,16,17,18).
What are the key properties of 2-(3-morpholin-4-ylpropyl)-1-[2-(oxan-2-yl)ethyl]guanidine?
2-(3-morpholin-4-ylpropyl)-1-[2-(oxan-2-yl)ethyl]guanidine has a molecular weight of 298.43 g/mol, XLogP of 0.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-morpholin-4-ylpropyl)-1-[2-(oxan-2-yl)ethyl]guanidine is sourced from PubChem (CID 110018736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).