2-(2,2-dimethylpropyl)-5,5-dimethylmorpholine;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

C82H166FN9O6 — CID 158334541

IUPAC2-(2,2-dimethylpropyl)-5,5-dimethylmorpholine;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(CCC(C)C)CC1
InChIInChI=1S/C13H27NO.2C11H23NO.C11H23N.C10H19NO.C9H18N2O.C9H17NO.C8H16FN/c1-12(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/h12-13H,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
InChIKeyGQKNAVIWDIPMFS-UHFFFAOYSA-N
MW1393.28 g/mol
LogP15.30
Rot. Bonds24

About 2-(2,2-dimethylpropyl)-5,5-dimethylmorpholine;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;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 158334541) has the molecular formula C82H166FN9O6 and a molecular weight of 1393.28 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-5,5-dimethylmorpholine;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;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 CID158334541
Molecular FormulaC82H166FN9O6
Molecular Weight1393.28 g/mol
Exact Mass1392.29
IUPAC Name2-(2,2-dimethylpropyl)-5,5-dimethylmorpholine;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(CCC(C)C)CC1
InChIInChI=1S/C13H27NO.2C11H23NO.C11H23N.C10H19NO.C9H18N2O.C9H17NO.C8H16FN/c1-12(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/h12-13H,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
InChIKeyGQKNAVIWDIPMFS-UHFFFAOYSA-N
XLogP15.30
TPSA125.64 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds24
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001393.28
LogP ≤ 515.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 2-(2,2-dimethylpropyl)-5,5-dimethylmorpholine;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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Related Compounds

2,3-Dimethylbutane;1-(2,3-dimethylbutan-2-yl)-3,3-difluoroazetidine;4-(2,3-dimethylbutan-2-yl)-2-methylmorpholine;1-(2,3-dimethylbutan-2-yl)-4-methylpiperazine;4-(2,3-dimethylbutan-2-yl)morpholine;3-(2,3-dimethylbutan-2-yl)-6-oxa-3-azabicyclo[3.1.1]heptane;4-(2,3-dimethylbutan-2-yl)piperazin-2-one;2-methylpropane;2,2,3-trimethylbutane
CID 163878524
2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;bis(1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);N-[3-[2-(4-tert-butylpiperazin-1-yl)ethoxy]propyl]-2-methylpropan-2-amine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperazine;4-(3,3-dimethylbutyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidine;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propyl]propan-2-amine
CID 159357700
2-(2,2-Dimethylpropyl)-5,5-dimethylmorpholine;3-fluoro-1-methyl-3-(2-methylpropyl)azetidine;1-(2-methoxyethyl)-4-(3-methylbutyl)piperazine;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 160613728
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

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-5,5-dimethylmorpholine;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;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 158334541) is 2-(2,2-dimethylpropyl)-5,5-dimethylmorpholine;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;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;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(CCC(C)C)CC1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-5,5-dimethylmorpholine;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 GQKNAVIWDIPMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO.2C11H23NO.C11H23N.C10H19NO.C9H18N2O.C9H17NO.C8H16FN/c1-12(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/h12-13H,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;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;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 1393.28 g/mol, XLogP of 15.30, 24 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-5,5-dimethylmorpholine;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 158334541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).