4-[2-[(1R,3R)-3-(butoxymethyl)-2,2-dimethylcyclobutyl]ethyl]morpholine

C17H33NO2 — CID 70899879

IUPAC4-[2-[(1R,3R)-3-(butoxymethyl)-2,2-dimethylcyclobutyl]ethyl]morpholine
SMILESCCCCOC[C@@H]1C[C@H](CCN2CCOCC2)C1(C)C
InChIInChI=1S/C17H33NO2/c1-4-5-10-20-14-16-13-15(17(16,2)3)6-7-18-8-11-19-12-9-18/h15-16H,4-14H2,1-3H3/t15-,16-/m0/s1
InChIKeyDVUDBYSAIUJBFT-HOTGVXAUSA-N
MW283.46 g/mol
LogP3.19
Rot. Bonds8

About 4-[2-[(1R,3R)-3-(butoxymethyl)-2,2-dimethylcyclobutyl]ethyl]morpholine

4-[2-[(1R,3R)-3-(butoxymethyl)-2,2-dimethylcyclobutyl]ethyl]morpholine (PubChem CID 70899879) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 4-[2-[(1R,3R)-3-(butoxymethyl)-2,2-dimethylcyclobutyl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[(1R,3R)-3-(butoxymethyl)-2,2-dimethylcyclobutyl]ethyl]morpholine
PubChem CID70899879
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name4-[2-[(1R,3R)-3-(butoxymethyl)-2,2-dimethylcyclobutyl]ethyl]morpholine
SMILESCCCCOC[C@@H]1C[C@H](CCN2CCOCC2)C1(C)C
InChIInChI=1S/C17H33NO2/c1-4-5-10-20-14-16-13-15(17(16,2)3)6-7-18-8-11-19-12-9-18/h15-16H,4-14H2,1-3H3/t15-,16-/m0/s1
InChIKeyDVUDBYSAIUJBFT-HOTGVXAUSA-N
XLogP3.19
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(1R,3R)-3-(butoxymethyl)-2,2-dimethylcyclobutyl]ethyl]morpholine?
The IUPAC name of 4-[2-[(1R,3R)-3-(butoxymethyl)-2,2-dimethylcyclobutyl]ethyl]morpholine (CID 70899879) is 4-[2-[(1R,3R)-3-(butoxymethyl)-2,2-dimethylcyclobutyl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[(1R,3R)-3-(butoxymethyl)-2,2-dimethylcyclobutyl]ethyl]morpholine?
The canonical SMILES for 4-[2-[(1R,3R)-3-(butoxymethyl)-2,2-dimethylcyclobutyl]ethyl]morpholine is CCCCOC[C@@H]1C[C@H](CCN2CCOCC2)C1(C)C.
What is the InChIKey of 4-[2-[(1R,3R)-3-(butoxymethyl)-2,2-dimethylcyclobutyl]ethyl]morpholine?
The InChIKey is DVUDBYSAIUJBFT-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H33NO2/c1-4-5-10-20-14-16-13-15(17(16,2)3)6-7-18-8-11-19-12-9-18/h15-16H,4-14H2,1-3H3/t15-,16-/m0/s1.
What are the key properties of 4-[2-[(1R,3R)-3-(butoxymethyl)-2,2-dimethylcyclobutyl]ethyl]morpholine?
4-[2-[(1R,3R)-3-(butoxymethyl)-2,2-dimethylcyclobutyl]ethyl]morpholine has a molecular weight of 283.46 g/mol, XLogP of 3.19, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(1R,3R)-3-(butoxymethyl)-2,2-dimethylcyclobutyl]ethyl]morpholine is sourced from PubChem (CID 70899879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).