4-[4-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)butyl]-2,6-dimethylmorpholine

C22H41NO3 — CID 14990429

IUPAC4-[4-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)butyl]-2,6-dimethylmorpholine
SMILESCC1CN(CCCCC2COC3(CCC(C(C)(C)C)CC3)O2)CC(C)O1
InChIInChI=1S/C22H41NO3/c1-17-14-23(15-18(2)25-17)13-7-6-8-20-16-24-22(26-20)11-9-19(10-12-22)21(3,4)5/h17-20H,6-16H2,1-5H3
InChIKeyZDPNMPSQPSDAMJ-UHFFFAOYSA-N
MW367.57 g/mol
LogP4.61
Rot. Bonds5

About 4-[4-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)butyl]-2,6-dimethylmorpholine

4-[4-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)butyl]-2,6-dimethylmorpholine (PubChem CID 14990429) has the molecular formula C22H41NO3 and a molecular weight of 367.57 g/mol. Its IUPAC name is 4-[4-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)butyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[4-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)butyl]-2,6-dimethylmorpholine
PubChem CID14990429
Molecular FormulaC22H41NO3
Molecular Weight367.57 g/mol
Exact Mass367.31
IUPAC Name4-[4-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)butyl]-2,6-dimethylmorpholine
SMILESCC1CN(CCCCC2COC3(CCC(C(C)(C)C)CC3)O2)CC(C)O1
InChIInChI=1S/C22H41NO3/c1-17-14-23(15-18(2)25-17)13-7-6-8-20-16-24-22(26-20)11-9-19(10-12-22)21(3,4)5/h17-20H,6-16H2,1-5H3
InChIKeyZDPNMPSQPSDAMJ-UHFFFAOYSA-N
XLogP4.61
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.57
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)butyl]morpholine
CID 14990428
1-[2-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)ethyl]-3-ethylpiperidine
CID 14990401
1-[3-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)propyl]-2-ethylpiperidine
CID 14990477
1-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)-N,N-dimethylmethanamine
CID 142064985
3-methyl-1-[2-[8-(2-methylpentan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]ethyl]piperidine
CID 14990389
1-[2-[8-(2-methylpentan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]ethyl]pyrrolidine
CID 14990393
N-[(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]-N-ethylpropan-1-amine;sulfane
CID 174604657
4-(2,6-dimethylmorpholin-4-yl)-N-methylbutan-1-amine
CID 60842262
2,6-dimethyl-4-tritriacontylmorpholine
CID 150123657
1-[(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl-ethylamino]-1-hydroxypropan-2-one
CID 169451451
(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methanamine
CID 55263052
(Z)-1-[(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl-propylamino]ethene-1,2-diol
CID 169451826

Frequently Asked Questions

What is the IUPAC name of 4-[4-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)butyl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[4-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)butyl]-2,6-dimethylmorpholine (CID 14990429) is 4-[4-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)butyl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[4-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)butyl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[4-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)butyl]-2,6-dimethylmorpholine is CC1CN(CCCCC2COC3(CCC(C(C)(C)C)CC3)O2)CC(C)O1.
What is the InChIKey of 4-[4-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)butyl]-2,6-dimethylmorpholine?
The InChIKey is ZDPNMPSQPSDAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41NO3/c1-17-14-23(15-18(2)25-17)13-7-6-8-20-16-24-22(26-20)11-9-19(10-12-22)21(3,4)5/h17-20H,6-16H2,1-5H3.
What are the key properties of 4-[4-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)butyl]-2,6-dimethylmorpholine?
4-[4-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)butyl]-2,6-dimethylmorpholine has a molecular weight of 367.57 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)butyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 14990429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).