4-[[(1R,2S,3R)-3-(2-imidazol-1-ylethyl)-2-methylcyclobutyl]methyl]morpholine

C15H25N3O — CID 70307865

IUPAC4-[[(1R,2S,3R)-3-(2-imidazol-1-ylethyl)-2-methylcyclobutyl]methyl]morpholine
SMILESC[C@H]1[C@@H](CCn2ccnc2)C[C@H]1CN1CCOCC1
InChIInChI=1S/C15H25N3O/c1-13-14(2-4-18-5-3-16-12-18)10-15(13)11-17-6-8-19-9-7-17/h3,5,12-15H,2,4,6-11H2,1H3/t13-,14-,15-/m0/s1
InChIKeyUVWXPSSEMIOMGJ-KKUMJFAQSA-N
MW263.38 g/mol
LogP1.88
Rot. Bonds5

About 4-[[(1R,2S,3R)-3-(2-imidazol-1-ylethyl)-2-methylcyclobutyl]methyl]morpholine

4-[[(1R,2S,3R)-3-(2-imidazol-1-ylethyl)-2-methylcyclobutyl]methyl]morpholine (PubChem CID 70307865) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-[[(1R,2S,3R)-3-(2-imidazol-1-ylethyl)-2-methylcyclobutyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[(1R,2S,3R)-3-(2-imidazol-1-ylethyl)-2-methylcyclobutyl]methyl]morpholine
PubChem CID70307865
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name4-[[(1R,2S,3R)-3-(2-imidazol-1-ylethyl)-2-methylcyclobutyl]methyl]morpholine
SMILESC[C@H]1[C@@H](CCn2ccnc2)C[C@H]1CN1CCOCC1
InChIInChI=1S/C15H25N3O/c1-13-14(2-4-18-5-3-16-12-18)10-15(13)11-17-6-8-19-9-7-17/h3,5,12-15H,2,4,6-11H2,1H3/t13-,14-,15-/m0/s1
InChIKeyUVWXPSSEMIOMGJ-KKUMJFAQSA-N
XLogP1.88
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[[(1R,2S,3R)-3-(2-imidazol-1-ylethyl)-2-methylcyclobutyl]methyl]morpholine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R,2S,3R)-3-(2-imidazol-1-ylethyl)-2-methylcyclobutyl]methyl]morpholine?
The IUPAC name of 4-[[(1R,2S,3R)-3-(2-imidazol-1-ylethyl)-2-methylcyclobutyl]methyl]morpholine (CID 70307865) is 4-[[(1R,2S,3R)-3-(2-imidazol-1-ylethyl)-2-methylcyclobutyl]methyl]morpholine.
What is the SMILES notation for 4-[[(1R,2S,3R)-3-(2-imidazol-1-ylethyl)-2-methylcyclobutyl]methyl]morpholine?
The canonical SMILES for 4-[[(1R,2S,3R)-3-(2-imidazol-1-ylethyl)-2-methylcyclobutyl]methyl]morpholine is C[C@H]1[C@@H](CCn2ccnc2)C[C@H]1CN1CCOCC1.
What is the InChIKey of 4-[[(1R,2S,3R)-3-(2-imidazol-1-ylethyl)-2-methylcyclobutyl]methyl]morpholine?
The InChIKey is UVWXPSSEMIOMGJ-KKUMJFAQSA-N. The full InChI is InChI=1S/C15H25N3O/c1-13-14(2-4-18-5-3-16-12-18)10-15(13)11-17-6-8-19-9-7-17/h3,5,12-15H,2,4,6-11H2,1H3/t13-,14-,15-/m0/s1.
What are the key properties of 4-[[(1R,2S,3R)-3-(2-imidazol-1-ylethyl)-2-methylcyclobutyl]methyl]morpholine?
4-[[(1R,2S,3R)-3-(2-imidazol-1-ylethyl)-2-methylcyclobutyl]methyl]morpholine has a molecular weight of 263.38 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R,2S,3R)-3-(2-imidazol-1-ylethyl)-2-methylcyclobutyl]methyl]morpholine is sourced from PubChem (CID 70307865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).