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

C14H28N4O2 — CID 111041853

IUPAC2-(3-morpholin-4-ylpropyl)-1-[2-(oxolan-2-yl)ethyl]guanidine
SMILESN/C(=N\CCCN1CCOCC1)NCCC1CCCO1
InChIInChI=1S/C14H28N4O2/c15-14(17-6-4-13-3-1-10-20-13)16-5-2-7-18-8-11-19-12-9-18/h13H,1-12H2,(H3,15,16,17)
InChIKeyMNAQZDXNLCZXAW-UHFFFAOYSA-N
MW284.40 g/mol
LogP0.18
Rot. Bonds7

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

2-(3-morpholin-4-ylpropyl)-1-[2-(oxolan-2-yl)ethyl]guanidine (PubChem CID 111041853) has the molecular formula C14H28N4O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-(3-morpholin-4-ylpropyl)-1-[2-(oxolan-2-yl)ethyl]guanidine.

Molecular Properties

Compound Name2-(3-morpholin-4-ylpropyl)-1-[2-(oxolan-2-yl)ethyl]guanidine
PubChem CID111041853
Molecular FormulaC14H28N4O2
Molecular Weight284.40 g/mol
Exact Mass284.22
IUPAC Name2-(3-morpholin-4-ylpropyl)-1-[2-(oxolan-2-yl)ethyl]guanidine
SMILESN/C(=N\CCCN1CCOCC1)NCCC1CCCO1
InChIInChI=1S/C14H28N4O2/c15-14(17-6-4-13-3-1-10-20-13)16-5-2-7-18-8-11-19-12-9-18/h13H,1-12H2,(H3,15,16,17)
InChIKeyMNAQZDXNLCZXAW-UHFFFAOYSA-N
XLogP0.18
TPSA72.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 50.18
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'}

Analyze 2-(3-morpholin-4-ylpropyl)-1-[2-(oxolan-2-yl)ethyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-morpholin-4-ylpropyl)-1-[2-(oxan-2-yl)ethyl]guanidine
CID 110018736
1-(3-cyclopentylpropyl)-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111062761
2-octyl-1-[2-(oxolan-2-yl)ethyl]guanidine
CID 111041837
1-[2-(azepan-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111057007
2-(3-ethoxypropyl)-1-[2-(oxolan-2-yl)ethyl]guanidine
CID 111041849
1-[2-(3-methylcyclohexyl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111558248
1-[2-(4-methylpiperidin-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111056682
1-[2-(3-methylpiperidin-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 111056854
2-[3-(3-methylpiperidin-1-yl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111056935
1-[2-[cyclopentyl(methyl)amino]ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111804104
2-[3-(azepan-1-yl)propyl]-1-ethyl-3-[2-(oxolan-2-yl)ethyl]guanidine;hydroiodide
CID 111324987
1,2-bis(2-morpholin-4-ylethyl)guanidine
CID 141003386

Frequently Asked Questions

What is the IUPAC name of 2-(3-morpholin-4-ylpropyl)-1-[2-(oxolan-2-yl)ethyl]guanidine?
The IUPAC name of 2-(3-morpholin-4-ylpropyl)-1-[2-(oxolan-2-yl)ethyl]guanidine (CID 111041853) is 2-(3-morpholin-4-ylpropyl)-1-[2-(oxolan-2-yl)ethyl]guanidine.
What is the SMILES notation for 2-(3-morpholin-4-ylpropyl)-1-[2-(oxolan-2-yl)ethyl]guanidine?
The canonical SMILES for 2-(3-morpholin-4-ylpropyl)-1-[2-(oxolan-2-yl)ethyl]guanidine is N/C(=N\CCCN1CCOCC1)NCCC1CCCO1.
What is the InChIKey of 2-(3-morpholin-4-ylpropyl)-1-[2-(oxolan-2-yl)ethyl]guanidine?
The InChIKey is MNAQZDXNLCZXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2/c15-14(17-6-4-13-3-1-10-20-13)16-5-2-7-18-8-11-19-12-9-18/h13H,1-12H2,(H3,15,16,17).
What are the key properties of 2-(3-morpholin-4-ylpropyl)-1-[2-(oxolan-2-yl)ethyl]guanidine?
2-(3-morpholin-4-ylpropyl)-1-[2-(oxolan-2-yl)ethyl]guanidine has a molecular weight of 284.40 g/mol, XLogP of 0.18, 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-(oxolan-2-yl)ethyl]guanidine is sourced from PubChem (CID 111041853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).