2-methyl-1-(2-morpholin-4-ylethyl)-3-(2-oxabicyclo[4.2.0]octan-7-yl)guanidine

C15H28N4O2 — CID 122082039

IUPAC2-methyl-1-(2-morpholin-4-ylethyl)-3-(2-oxabicyclo[4.2.0]octan-7-yl)guanidine
SMILESC/N=C(\NCCN1CCOCC1)NC1CC2OCCCC12
InChIInChI=1S/C15H28N4O2/c1-16-15(17-4-5-19-6-9-20-10-7-19)18-13-11-14-12(13)3-2-8-21-14/h12-14H,2-11H2,1H3,(H2,16,17,18)
InChIKeyMDDRBFIRZNKPIX-UHFFFAOYSA-N
MW296.42 g/mol
LogP0.05
Rot. Bonds4

About 2-methyl-1-(2-morpholin-4-ylethyl)-3-(2-oxabicyclo[4.2.0]octan-7-yl)guanidine

2-methyl-1-(2-morpholin-4-ylethyl)-3-(2-oxabicyclo[4.2.0]octan-7-yl)guanidine (PubChem CID 122082039) has the molecular formula C15H28N4O2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 2-methyl-1-(2-morpholin-4-ylethyl)-3-(2-oxabicyclo[4.2.0]octan-7-yl)guanidine.

Molecular Properties

Compound Name2-methyl-1-(2-morpholin-4-ylethyl)-3-(2-oxabicyclo[4.2.0]octan-7-yl)guanidine
PubChem CID122082039
Molecular FormulaC15H28N4O2
Molecular Weight296.42 g/mol
Exact Mass296.22
IUPAC Name2-methyl-1-(2-morpholin-4-ylethyl)-3-(2-oxabicyclo[4.2.0]octan-7-yl)guanidine
SMILESC/N=C(\NCCN1CCOCC1)NC1CC2OCCCC12
InChIInChI=1S/C15H28N4O2/c1-16-15(17-4-5-19-6-9-20-10-7-19)18-13-11-14-12(13)3-2-8-21-14/h12-14H,2-11H2,1H3,(H2,16,17,18)
InChIKeyMDDRBFIRZNKPIX-UHFFFAOYSA-N
XLogP0.05
TPSA58.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-morpholin-4-ylethyl)-3-(2-oxabicyclo[4.2.0]octan-7-yl)guanidine?
The IUPAC name of 2-methyl-1-(2-morpholin-4-ylethyl)-3-(2-oxabicyclo[4.2.0]octan-7-yl)guanidine (CID 122082039) is 2-methyl-1-(2-morpholin-4-ylethyl)-3-(2-oxabicyclo[4.2.0]octan-7-yl)guanidine.
What is the SMILES notation for 2-methyl-1-(2-morpholin-4-ylethyl)-3-(2-oxabicyclo[4.2.0]octan-7-yl)guanidine?
The canonical SMILES for 2-methyl-1-(2-morpholin-4-ylethyl)-3-(2-oxabicyclo[4.2.0]octan-7-yl)guanidine is C/N=C(\NCCN1CCOCC1)NC1CC2OCCCC12.
What is the InChIKey of 2-methyl-1-(2-morpholin-4-ylethyl)-3-(2-oxabicyclo[4.2.0]octan-7-yl)guanidine?
The InChIKey is MDDRBFIRZNKPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-16-15(17-4-5-19-6-9-20-10-7-19)18-13-11-14-12(13)3-2-8-21-14/h12-14H,2-11H2,1H3,(H2,16,17,18).
What are the key properties of 2-methyl-1-(2-morpholin-4-ylethyl)-3-(2-oxabicyclo[4.2.0]octan-7-yl)guanidine?
2-methyl-1-(2-morpholin-4-ylethyl)-3-(2-oxabicyclo[4.2.0]octan-7-yl)guanidine has a molecular weight of 296.42 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-morpholin-4-ylethyl)-3-(2-oxabicyclo[4.2.0]octan-7-yl)guanidine is sourced from PubChem (CID 122082039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).