1,2-bis(2-morpholin-4-ylethyl)guanidine

C13H27N5O2 — CID 141003386

IUPAC1,2-bis(2-morpholin-4-ylethyl)guanidine
SMILESN/C(=N\CCN1CCOCC1)NCCN1CCOCC1
InChIInChI=1S/C13H27N5O2/c14-13(15-1-3-17-5-9-19-10-6-17)16-2-4-18-7-11-20-12-8-18/h1-12H2,(H3,14,15,16)
InChIKeyAERMNDFIVXNPEB-UHFFFAOYSA-N
MW285.39 g/mol
LogP-1.44
Rot. Bonds6

About 1,2-bis(2-morpholin-4-ylethyl)guanidine

1,2-bis(2-morpholin-4-ylethyl)guanidine (PubChem CID 141003386) has the molecular formula C13H27N5O2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1,2-bis(2-morpholin-4-ylethyl)guanidine.

Molecular Properties

Compound Name1,2-bis(2-morpholin-4-ylethyl)guanidine
PubChem CID141003386
Molecular FormulaC13H27N5O2
Molecular Weight285.39 g/mol
Exact Mass285.22
IUPAC Name1,2-bis(2-morpholin-4-ylethyl)guanidine
SMILESN/C(=N\CCN1CCOCC1)NCCN1CCOCC1
InChIInChI=1S/C13H27N5O2/c14-13(15-1-3-17-5-9-19-10-6-17)16-2-4-18-7-11-20-12-8-18/h1-12H2,(H3,14,15,16)
InChIKeyAERMNDFIVXNPEB-UHFFFAOYSA-N
XLogP-1.44
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 5-1.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[2-(azepan-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111057007
1-amino-2-(2-morpholin-4-ylethyl)guanidine
CID 15114686
1-[2-(4-methylpiperidin-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111056682
1-(4-morpholin-4-ylbutyl)-2-propylguanidine;hydroiodide
CID 111059844
1-[2-(3-methylpiperidin-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 111056854
1-(4-methylpentyl)-2-(3-morpholin-4-ylpropyl)guanidine
CID 111054905
1-[2-[ethyl(propyl)amino]ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111600589
1-[2-(4-methylpyrazol-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 111806210
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 111078805
1-(3-cyclopentylpropyl)-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111062761
2-(2-morpholin-4-ylethyl)-1-phenylguanidine
CID 62364486
2-(3-morpholin-4-ylpropyl)-1-[2-(oxolan-2-yl)ethyl]guanidine
CID 111041853

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(2-morpholin-4-ylethyl)guanidine?
The IUPAC name of 1,2-bis(2-morpholin-4-ylethyl)guanidine (CID 141003386) is 1,2-bis(2-morpholin-4-ylethyl)guanidine.
What is the SMILES notation for 1,2-bis(2-morpholin-4-ylethyl)guanidine?
The canonical SMILES for 1,2-bis(2-morpholin-4-ylethyl)guanidine is N/C(=N\CCN1CCOCC1)NCCN1CCOCC1.
What is the InChIKey of 1,2-bis(2-morpholin-4-ylethyl)guanidine?
The InChIKey is AERMNDFIVXNPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N5O2/c14-13(15-1-3-17-5-9-19-10-6-17)16-2-4-18-7-11-20-12-8-18/h1-12H2,(H3,14,15,16).
What are the key properties of 1,2-bis(2-morpholin-4-ylethyl)guanidine?
1,2-bis(2-morpholin-4-ylethyl)guanidine has a molecular weight of 285.39 g/mol, XLogP of -1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(2-morpholin-4-ylethyl)guanidine is sourced from PubChem (CID 141003386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).