2-(2,2-dimethylpropyl)-5,5-dimethylmorpholine;4-(2,2-dimethylpropyl)-1-(2-methoxyethyl)piperidine;3-fluoro-1-methyl-3-(2-methylpropyl)azetidine;1-(2-methoxyethyl)-4-(3-methylbutyl)piperidine;1-(2-methoxyethyl)-3-methyl-3-(2-methylpropyl)azetidine;4-(3-methylbutyl)piperazin-2-one;1-methyl-4-(3-methylbutyl)piperidine;1-[3-methyl-3-(2-methylpropyl)azetidin-1-yl]ethanone;1-[3-(2-methylpropyl)azetidin-1-yl]ethanone

C95H193FN10O7 — CID 161108871

IUPAC2-(2,2-dimethylpropyl)-5,5-dimethylmorpholine;4-(2,2-dimethylpropyl)-1-(2-methoxyethyl)piperidine;3-fluoro-1-methyl-3-(2-methylpropyl)azetidine;1-(2-methoxyethyl)-4-(3-methylbutyl)piperidine;1-(2-methoxyethyl)-3-methyl-3-(2-methylpropyl)azetidine;4-(3-methylbutyl)piperazin-2-one;1-methyl-4-(3-methylbutyl)piperidine;1-[3-methyl-3-(2-methylpropyl)azetidin-1-yl]ethanone;1-[3-(2-methylpropyl)azetidin-1-yl]ethanone
SMILESCC(=O)N1CC(C)(CC(C)C)C1.CC(=O)N1CC(CC(C)C)C1.CC(C)(C)CC1CNC(C)(C)CO1.CC(C)CC1(F)CN(C)C1.CC(C)CCC1CCN(C)CC1.CC(C)CCN1CCNC(=O)C1.COCCN1CC(C)(CC(C)C)C1.COCCN1CCC(CC(C)(C)C)CC1.COCCN1CCC(CCC(C)C)CC1
InChIInChI=1S/2C13H27NO.2C11H23NO.C11H23N.C10H19NO.C9H18N2O.C9H17NO.C8H16FN/c1-13(2,3)11-12-5-7-14(8-6-12)9-10-15-4;1-12(2)4-5-13-6-8-14(9-7-13)10-11-15-3;1-10(2,3)6-9-7-12-11(4,5)8-13-9;1-10(2)7-11(3)8-12(9-11)5-6-13-4;1-10(2)4-5-11-6-8-12(3)9-7-11;1-8(2)5-10(4)6-11(7-10)9(3)12;1-8(2)3-5-11-6-4-10-9(12)7-11;1-7(2)4-9-5-10(6-9)8(3)11;1-7(2)4-8(9)5-10(3)6-8/h12H,5-11H2,1-4H3;12-13H,4-11H2,1-3H3;9,12H,6-8H2,1-5H3;10H,5-9H2,1-4H3;10-11H,4-9H2,1-3H3;8H,5-7H2,1-4H3;8H,3-7H2,1-2H3,(H,10,12);7,9H,4-6H2,1-3H3;7H,4-6H2,1-3H3
InChIKeyUJKVZZBBNJGPRF-UHFFFAOYSA-N
MW1606.65 g/mol
LogP18.08
Rot. Bonds28

About 2-(2,2-dimethylpropyl)-5,5-dimethylmorpholine;4-(2,2-dimethylpropyl)-1-(2-methoxyethyl)piperidine;3-fluoro-1-methyl-3-(2-methylpropyl)azetidine;1-(2-methoxyethyl)-4-(3-methylbutyl)piperidine;1-(2-methoxyethyl)-3-methyl-3-(2-methylpropyl)azetidine;4-(3-methylbutyl)piperazin-2-one;1-methyl-4-(3-methylbutyl)piperidine;1-[3-methyl-3-(2-methylpropyl)azetidin-1-yl]ethanone;1-[3-(2-methylpropyl)azetidin-1-yl]ethanone

2-(2,2-dimethylpropyl)-5,5-dimethylmorpholine;4-(2,2-dimethylpropyl)-1-(2-methoxyethyl)piperidine;3-fluoro-1-methyl-3-(2-methylpropyl)azetidine;1-(2-methoxyethyl)-4-(3-methylbutyl)piperidine;1-(2-methoxyethyl)-3-methyl-3-(2-methylpropyl)azetidine;4-(3-methylbutyl)piperazin-2-one;1-methyl-4-(3-methylbutyl)piperidine;1-[3-methyl-3-(2-methylpropyl)azetidin-1-yl]ethanone;1-[3-(2-methylpropyl)azetidin-1-yl]ethanone (PubChem CID 161108871) has the molecular formula C95H193FN10O7 and a molecular weight of 1606.65 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-5,5-dimethylmorpholine;4-(2,2-dimethylpropyl)-1-(2-methoxyethyl)piperidine;3-fluoro-1-methyl-3-(2-methylpropyl)azetidine;1-(2-methoxyethyl)-4-(3-methylbutyl)piperidine;1-(2-methoxyethyl)-3-methyl-3-(2-methylpropyl)azetidine;4-(3-methylbutyl)piperazin-2-one;1-methyl-4-(3-methylbutyl)piperidine;1-[3-methyl-3-(2-methylpropyl)azetidin-1-yl]ethanone;1-[3-(2-methylpropyl)azetidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-5,5-dimethylmorpholine;4-(2,2-dimethylpropyl)-1-(2-methoxyethyl)piperidine;3-fluoro-1-methyl-3-(2-methylpropyl)azetidine;1-(2-methoxyethyl)-4-(3-methylbutyl)piperidine;1-(2-methoxyethyl)-3-methyl-3-(2-methylpropyl)azetidine;4-(3-methylbutyl)piperazin-2-one;1-methyl-4-(3-methylbutyl)piperidine;1-[3-methyl-3-(2-methylpropyl)azetidin-1-yl]ethanone;1-[3-(2-methylpropyl)azetidin-1-yl]ethanone
PubChem CID161108871
Molecular FormulaC95H193FN10O7
Molecular Weight1606.65 g/mol
Exact Mass1605.50
IUPAC Name2-(2,2-dimethylpropyl)-5,5-dimethylmorpholine;4-(2,2-dimethylpropyl)-1-(2-methoxyethyl)piperidine;3-fluoro-1-methyl-3-(2-methylpropyl)azetidine;1-(2-methoxyethyl)-4-(3-methylbutyl)piperidine;1-(2-methoxyethyl)-3-methyl-3-(2-methylpropyl)azetidine;4-(3-methylbutyl)piperazin-2-one;1-methyl-4-(3-methylbutyl)piperidine;1-[3-methyl-3-(2-methylpropyl)azetidin-1-yl]ethanone;1-[3-(2-methylpropyl)azetidin-1-yl]ethanone
SMILESCC(=O)N1CC(C)(CC(C)C)C1.CC(=O)N1CC(CC(C)C)C1.CC(C)(C)CC1CNC(C)(C)CO1.CC(C)CC1(F)CN(C)C1.CC(C)CCC1CCN(C)CC1.CC(C)CCN1CCNC(=O)C1.COCCN1CC(C)(CC(C)C)C1.COCCN1CCC(CC(C)(C)C)CC1.COCCN1CCC(CCC(C)C)CC1
InChIInChI=1S/2C13H27NO.2C11H23NO.C11H23N.C10H19NO.C9H18N2O.C9H17NO.C8H16FN/c1-13(2,3)11-12-5-7-14(8-6-12)9-10-15-4;1-12(2)4-5-13-6-8-14(9-7-13)10-11-15-3;1-10(2,3)6-9-7-12-11(4,5)8-13-9;1-10(2)7-11(3)8-12(9-11)5-6-13-4;1-10(2)4-5-11-6-8-12(3)9-7-11;1-8(2)5-10(4)6-11(7-10)9(3)12;1-8(2)3-5-11-6-4-10-9(12)7-11;1-7(2)4-9-5-10(6-9)8(3)11;1-7(2)4-8(9)5-10(3)6-8/h12H,5-11H2,1-4H3;12-13H,4-11H2,1-3H3;9,12H,6-8H2,1-5H3;10H,5-9H2,1-4H3;10-11H,4-9H2,1-3H3;8H,5-7H2,1-4H3;8H,3-7H2,1-2H3,(H,10,12);7,9H,4-6H2,1-3H3;7H,4-6H2,1-3H3
InChIKeyUJKVZZBBNJGPRF-UHFFFAOYSA-N
XLogP18.08
TPSA138.11 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds28
Heavy Atoms113
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001606.65
LogP ≤ 518.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 2-(2,2-dimethylpropyl)-5,5-dimethylmorpholine;4-(2,2-dimethylpropyl)-1-(2-methoxyethyl)piperidine;3-fluoro-1-methyl-3-(2-methylpropyl)azetidine;1-(2-methoxyethyl)-4-(3-methylbutyl)piperidine;1-(2-methoxyethyl)-3-methyl-3-(2-methylpropyl)azetidine;4-(3-methylbutyl)piperazin-2-one;1-methyl-4-(3-methylbutyl)piperidine;1-[3-methyl-3-(2-methylpropyl)azetidin-1-yl]ethanone;1-[3-(2-methylpropyl)azetidin-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-5,5-dimethylmorpholine;4-(2,2-dimethylpropyl)-1-(2-methoxyethyl)piperidine;3-fluoro-1-methyl-3-(2-methylpropyl)azetidine;1-(2-methoxyethyl)-4-(3-methylbutyl)piperidine;1-(2-methoxyethyl)-3-methyl-3-(2-methylpropyl)azetidine;4-(3-methylbutyl)piperazin-2-one;1-methyl-4-(3-methylbutyl)piperidine;1-[3-methyl-3-(2-methylpropyl)azetidin-1-yl]ethanone;1-[3-(2-methylpropyl)azetidin-1-yl]ethanone?
The IUPAC name of 2-(2,2-dimethylpropyl)-5,5-dimethylmorpholine;4-(2,2-dimethylpropyl)-1-(2-methoxyethyl)piperidine;3-fluoro-1-methyl-3-(2-methylpropyl)azetidine;1-(2-methoxyethyl)-4-(3-methylbutyl)piperidine;1-(2-methoxyethyl)-3-methyl-3-(2-methylpropyl)azetidine;4-(3-methylbutyl)piperazin-2-one;1-methyl-4-(3-methylbutyl)piperidine;1-[3-methyl-3-(2-methylpropyl)azetidin-1-yl]ethanone;1-[3-(2-methylpropyl)azetidin-1-yl]ethanone (CID 161108871) is 2-(2,2-dimethylpropyl)-5,5-dimethylmorpholine;4-(2,2-dimethylpropyl)-1-(2-methoxyethyl)piperidine;3-fluoro-1-methyl-3-(2-methylpropyl)azetidine;1-(2-methoxyethyl)-4-(3-methylbutyl)piperidine;1-(2-methoxyethyl)-3-methyl-3-(2-methylpropyl)azetidine;4-(3-methylbutyl)piperazin-2-one;1-methyl-4-(3-methylbutyl)piperidine;1-[3-methyl-3-(2-methylpropyl)azetidin-1-yl]ethanone;1-[3-(2-methylpropyl)azetidin-1-yl]ethanone.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-5,5-dimethylmorpholine;4-(2,2-dimethylpropyl)-1-(2-methoxyethyl)piperidine;3-fluoro-1-methyl-3-(2-methylpropyl)azetidine;1-(2-methoxyethyl)-4-(3-methylbutyl)piperidine;1-(2-methoxyethyl)-3-methyl-3-(2-methylpropyl)azetidine;4-(3-methylbutyl)piperazin-2-one;1-methyl-4-(3-methylbutyl)piperidine;1-[3-methyl-3-(2-methylpropyl)azetidin-1-yl]ethanone;1-[3-(2-methylpropyl)azetidin-1-yl]ethanone?
The canonical SMILES for 2-(2,2-dimethylpropyl)-5,5-dimethylmorpholine;4-(2,2-dimethylpropyl)-1-(2-methoxyethyl)piperidine;3-fluoro-1-methyl-3-(2-methylpropyl)azetidine;1-(2-methoxyethyl)-4-(3-methylbutyl)piperidine;1-(2-methoxyethyl)-3-methyl-3-(2-methylpropyl)azetidine;4-(3-methylbutyl)piperazin-2-one;1-methyl-4-(3-methylbutyl)piperidine;1-[3-methyl-3-(2-methylpropyl)azetidin-1-yl]ethanone;1-[3-(2-methylpropyl)azetidin-1-yl]ethanone is CC(=O)N1CC(C)(CC(C)C)C1.CC(=O)N1CC(CC(C)C)C1.CC(C)(C)CC1CNC(C)(C)CO1.CC(C)CC1(F)CN(C)C1.CC(C)CCC1CCN(C)CC1.CC(C)CCN1CCNC(=O)C1.COCCN1CC(C)(CC(C)C)C1.COCCN1CCC(CC(C)(C)C)CC1.COCCN1CCC(CCC(C)C)CC1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-5,5-dimethylmorpholine;4-(2,2-dimethylpropyl)-1-(2-methoxyethyl)piperidine;3-fluoro-1-methyl-3-(2-methylpropyl)azetidine;1-(2-methoxyethyl)-4-(3-methylbutyl)piperidine;1-(2-methoxyethyl)-3-methyl-3-(2-methylpropyl)azetidine;4-(3-methylbutyl)piperazin-2-one;1-methyl-4-(3-methylbutyl)piperidine;1-[3-methyl-3-(2-methylpropyl)azetidin-1-yl]ethanone;1-[3-(2-methylpropyl)azetidin-1-yl]ethanone?
The InChIKey is UJKVZZBBNJGPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H27NO.2C11H23NO.C11H23N.C10H19NO.C9H18N2O.C9H17NO.C8H16FN/c1-13(2,3)11-12-5-7-14(8-6-12)9-10-15-4;1-12(2)4-5-13-6-8-14(9-7-13)10-11-15-3;1-10(2,3)6-9-7-12-11(4,5)8-13-9;1-10(2)7-11(3)8-12(9-11)5-6-13-4;1-10(2)4-5-11-6-8-12(3)9-7-11;1-8(2)5-10(4)6-11(7-10)9(3)12;1-8(2)3-5-11-6-4-10-9(12)7-11;1-7(2)4-9-5-10(6-9)8(3)11;1-7(2)4-8(9)5-10(3)6-8/h12H,5-11H2,1-4H3;12-13H,4-11H2,1-3H3;9,12H,6-8H2,1-5H3;10H,5-9H2,1-4H3;10-11H,4-9H2,1-3H3;8H,5-7H2,1-4H3;8H,3-7H2,1-2H3,(H,10,12);7,9H,4-6H2,1-3H3;7H,4-6H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpropyl)-5,5-dimethylmorpholine;4-(2,2-dimethylpropyl)-1-(2-methoxyethyl)piperidine;3-fluoro-1-methyl-3-(2-methylpropyl)azetidine;1-(2-methoxyethyl)-4-(3-methylbutyl)piperidine;1-(2-methoxyethyl)-3-methyl-3-(2-methylpropyl)azetidine;4-(3-methylbutyl)piperazin-2-one;1-methyl-4-(3-methylbutyl)piperidine;1-[3-methyl-3-(2-methylpropyl)azetidin-1-yl]ethanone;1-[3-(2-methylpropyl)azetidin-1-yl]ethanone?
2-(2,2-dimethylpropyl)-5,5-dimethylmorpholine;4-(2,2-dimethylpropyl)-1-(2-methoxyethyl)piperidine;3-fluoro-1-methyl-3-(2-methylpropyl)azetidine;1-(2-methoxyethyl)-4-(3-methylbutyl)piperidine;1-(2-methoxyethyl)-3-methyl-3-(2-methylpropyl)azetidine;4-(3-methylbutyl)piperazin-2-one;1-methyl-4-(3-methylbutyl)piperidine;1-[3-methyl-3-(2-methylpropyl)azetidin-1-yl]ethanone;1-[3-(2-methylpropyl)azetidin-1-yl]ethanone has a molecular weight of 1606.65 g/mol, XLogP of 18.08, 28 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-5,5-dimethylmorpholine;4-(2,2-dimethylpropyl)-1-(2-methoxyethyl)piperidine;3-fluoro-1-methyl-3-(2-methylpropyl)azetidine;1-(2-methoxyethyl)-4-(3-methylbutyl)piperidine;1-(2-methoxyethyl)-3-methyl-3-(2-methylpropyl)azetidine;4-(3-methylbutyl)piperazin-2-one;1-methyl-4-(3-methylbutyl)piperidine;1-[3-methyl-3-(2-methylpropyl)azetidin-1-yl]ethanone;1-[3-(2-methylpropyl)azetidin-1-yl]ethanone is sourced from PubChem (CID 161108871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).