cyclobutyl-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]methanone

C13H24N2O2 — CID 45171639

IUPACcyclobutyl-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]methanone
SMILESCN(C)CCC1CN(C(=O)C2CCC2)CCO1
InChIInChI=1S/C13H24N2O2/c1-14(2)7-6-12-10-15(8-9-17-12)13(16)11-4-3-5-11/h11-12H,3-10H2,1-2H3
InChIKeyDMTSXSWHXFHECZ-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.97
Rot. Bonds4

About cyclobutyl-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]methanone

cyclobutyl-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]methanone (PubChem CID 45171639) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is cyclobutyl-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]methanone
PubChem CID45171639
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Namecyclobutyl-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]methanone
SMILESCN(C)CCC1CN(C(=O)C2CCC2)CCO1
InChIInChI=1S/C13H24N2O2/c1-14(2)7-6-12-10-15(8-9-17-12)13(16)11-4-3-5-11/h11-12H,3-10H2,1-2H3
InChIKeyDMTSXSWHXFHECZ-UHFFFAOYSA-N
XLogP0.97
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]methanone?
The IUPAC name of cyclobutyl-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]methanone (CID 45171639) is cyclobutyl-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]methanone.
What is the SMILES notation for cyclobutyl-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]methanone?
The canonical SMILES for cyclobutyl-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]methanone is CN(C)CCC1CN(C(=O)C2CCC2)CCO1.
What is the InChIKey of cyclobutyl-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]methanone?
The InChIKey is DMTSXSWHXFHECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-14(2)7-6-12-10-15(8-9-17-12)13(16)11-4-3-5-11/h11-12H,3-10H2,1-2H3.
What are the key properties of cyclobutyl-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]methanone?
cyclobutyl-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]methanone has a molecular weight of 240.35 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]methanone is sourced from PubChem (CID 45171639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).