1-(azetidin-1-yl)-3,3-dimethylbutan-1-one;1-(azetidin-1-yl)-4,4-dimethylpentan-1-one;3-(3,3-dimethylbutyl)-1-methylazetidine;4-(3,3-dimethylbutyl)-1-methylpiperidine;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;2-(2,2-dimethylpropyl)-5-fluorothiophene;3-(2,2-dimethylpropyl)-1-methylazetidine;4-(2,2-dimethylpropyl)-1-methylpiperidine;2-(2,2-dimethylpropyl)-5-methylthiophene;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)thiophene;N,N,3,3-tetramethylbutanamide;2,2,4,4-tetramethylpentanamide;N,N,4,4-tetramethylpentanamide

C135H256FN11O6S3 — CID 158375969

IUPAC1-(azetidin-1-yl)-3,3-dimethylbutan-1-one;1-(azetidin-1-yl)-4,4-dimethylpentan-1-one;3-(3,3-dimethylbutyl)-1-methylazetidine;4-(3,3-dimethylbutyl)-1-methylpiperidine;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;2-(2,2-dimethylpropyl)-5-fluorothiophene;3-(2,2-dimethylpropyl)-1-methylazetidine;4-(2,2-dimethylpropyl)-1-methylpiperidine;2-(2,2-dimethylpropyl)-5-methylthiophene;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)thiophene;N,N,3,3-tetramethylbutanamide;2,2,4,4-tetramethylpentanamide;N,N,4,4-tetramethylpentanamide
SMILESCC(=O)N1CC(CC(C)(C)C)C1.CC(C)(C)CC(=O)N1CCC1.CC(C)(C)CC(C)(C)C(N)=O.CC(C)(C)CCC(=O)N1CCC1.CC(C)(C)Cc1ccc(F)s1.CC(C)(C)Cc1cccs1.CC(C)(C)Cc1ccncc1.CN(C)C(=O)CC(C)(C)C.CN(C)C(=O)CCC(C)(C)C.CN1CC(CC(C)(C)C)C1.CN1CC(CCC(C)(C)C)C1.CN1CCC(CC(C)(C)C)CC1.CN1CCC(CCC(C)(C)C)CC1.Cc1ccc(CC(C)(C)C)s1
InChIInChI=1S/C12H25N.C11H23N.2C10H19NO.C10H21N.C10H15N.C10H16S.C9H13FS.C9H17NO.2C9H19NO.C9H19N.C9H14S.C8H17NO/c1-12(2,3)8-5-11-6-9-13(4)10-7-11;1-11(2,3)9-10-5-7-12(4)8-6-10;1-8(12)11-6-9(7-11)5-10(2,3)4;1-10(2,3)6-5-9(12)11-7-4-8-11;1-10(2,3)6-5-9-7-11(4)8-9;1-10(2,3)8-9-4-6-11-7-5-9;1-8-5-6-9(11-8)7-10(2,3)4;1-9(2,3)6-7-4-5-8(10)11-7;1-9(2,3)7-8(11)10-5-4-6-10;1-8(2,3)6-9(4,5)7(10)11;1-9(2,3)7-6-8(11)10(4)5;1-9(2,3)5-8-6-10(4)7-8;1-9(2,3)7-8-5-4-6-10-8;1-8(2,3)6-7(10)9(4)5/h11H,5-10H2,1-4H3;10H,5-9H2,1-4H3;9H,5-7H2,1-4H3;4-8H2,1-3H3;9H,5-8H2,1-4H3;4-7H,8H2,1-3H3;5-6H,7H2,1-4H3;4-5H,6H2,1-3H3;4-7H2,1-3H3;6H2,1-5H3,(H2,10,11);6-7H2,1-5H3;8H,5-7H2,1-4H3;4-6H,7H2,1-3H3;6H2,1-5H3
InChIKeyGVESIFLCAQRQEA-UHFFFAOYSA-N
MW2244.80 g/mol
LogP34.35
Rot. Bonds19

About 1-(azetidin-1-yl)-3,3-dimethylbutan-1-one;1-(azetidin-1-yl)-4,4-dimethylpentan-1-one;3-(3,3-dimethylbutyl)-1-methylazetidine;4-(3,3-dimethylbutyl)-1-methylpiperidine;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;2-(2,2-dimethylpropyl)-5-fluorothiophene;3-(2,2-dimethylpropyl)-1-methylazetidine;4-(2,2-dimethylpropyl)-1-methylpiperidine;2-(2,2-dimethylpropyl)-5-methylthiophene;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)thiophene;N,N,3,3-tetramethylbutanamide;2,2,4,4-tetramethylpentanamide;N,N,4,4-tetramethylpentanamide

1-(azetidin-1-yl)-3,3-dimethylbutan-1-one;1-(azetidin-1-yl)-4,4-dimethylpentan-1-one;3-(3,3-dimethylbutyl)-1-methylazetidine;4-(3,3-dimethylbutyl)-1-methylpiperidine;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;2-(2,2-dimethylpropyl)-5-fluorothiophene;3-(2,2-dimethylpropyl)-1-methylazetidine;4-(2,2-dimethylpropyl)-1-methylpiperidine;2-(2,2-dimethylpropyl)-5-methylthiophene;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)thiophene;N,N,3,3-tetramethylbutanamide;2,2,4,4-tetramethylpentanamide;N,N,4,4-tetramethylpentanamide (PubChem CID 158375969) has the molecular formula C135H256FN11O6S3 and a molecular weight of 2244.80 g/mol. Its IUPAC name is 1-(azetidin-1-yl)-3,3-dimethylbutan-1-one;1-(azetidin-1-yl)-4,4-dimethylpentan-1-one;3-(3,3-dimethylbutyl)-1-methylazetidine;4-(3,3-dimethylbutyl)-1-methylpiperidine;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;2-(2,2-dimethylpropyl)-5-fluorothiophene;3-(2,2-dimethylpropyl)-1-methylazetidine;4-(2,2-dimethylpropyl)-1-methylpiperidine;2-(2,2-dimethylpropyl)-5-methylthiophene;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)thiophene;N,N,3,3-tetramethylbutanamide;2,2,4,4-tetramethylpentanamide;N,N,4,4-tetramethylpentanamide.

Molecular Properties

Compound Name1-(azetidin-1-yl)-3,3-dimethylbutan-1-one;1-(azetidin-1-yl)-4,4-dimethylpentan-1-one;3-(3,3-dimethylbutyl)-1-methylazetidine;4-(3,3-dimethylbutyl)-1-methylpiperidine;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;2-(2,2-dimethylpropyl)-5-fluorothiophene;3-(2,2-dimethylpropyl)-1-methylazetidine;4-(2,2-dimethylpropyl)-1-methylpiperidine;2-(2,2-dimethylpropyl)-5-methylthiophene;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)thiophene;N,N,3,3-tetramethylbutanamide;2,2,4,4-tetramethylpentanamide;N,N,4,4-tetramethylpentanamide
PubChem CID158375969
Molecular FormulaC135H256FN11O6S3
Molecular Weight2244.80 g/mol
Exact Mass2242.92
IUPAC Name1-(azetidin-1-yl)-3,3-dimethylbutan-1-one;1-(azetidin-1-yl)-4,4-dimethylpentan-1-one;3-(3,3-dimethylbutyl)-1-methylazetidine;4-(3,3-dimethylbutyl)-1-methylpiperidine;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;2-(2,2-dimethylpropyl)-5-fluorothiophene;3-(2,2-dimethylpropyl)-1-methylazetidine;4-(2,2-dimethylpropyl)-1-methylpiperidine;2-(2,2-dimethylpropyl)-5-methylthiophene;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)thiophene;N,N,3,3-tetramethylbutanamide;2,2,4,4-tetramethylpentanamide;N,N,4,4-tetramethylpentanamide
SMILESCC(=O)N1CC(CC(C)(C)C)C1.CC(C)(C)CC(=O)N1CCC1.CC(C)(C)CC(C)(C)C(N)=O.CC(C)(C)CCC(=O)N1CCC1.CC(C)(C)Cc1ccc(F)s1.CC(C)(C)Cc1cccs1.CC(C)(C)Cc1ccncc1.CN(C)C(=O)CC(C)(C)C.CN(C)C(=O)CCC(C)(C)C.CN1CC(CC(C)(C)C)C1.CN1CC(CCC(C)(C)C)C1.CN1CCC(CC(C)(C)C)CC1.CN1CCC(CCC(C)(C)C)CC1.Cc1ccc(CC(C)(C)C)s1
InChIInChI=1S/C12H25N.C11H23N.2C10H19NO.C10H21N.C10H15N.C10H16S.C9H13FS.C9H17NO.2C9H19NO.C9H19N.C9H14S.C8H17NO/c1-12(2,3)8-5-11-6-9-13(4)10-7-11;1-11(2,3)9-10-5-7-12(4)8-6-10;1-8(12)11-6-9(7-11)5-10(2,3)4;1-10(2,3)6-5-9(12)11-7-4-8-11;1-10(2,3)6-5-9-7-11(4)8-9;1-10(2,3)8-9-4-6-11-7-5-9;1-8-5-6-9(11-8)7-10(2,3)4;1-9(2,3)6-7-4-5-8(10)11-7;1-9(2,3)7-8(11)10-5-4-6-10;1-8(2,3)6-9(4,5)7(10)11;1-9(2,3)7-6-8(11)10(4)5;1-9(2,3)5-8-6-10(4)7-8;1-9(2,3)7-8-5-4-6-10-8;1-8(2,3)6-7(10)9(4)5/h11H,5-10H2,1-4H3;10H,5-9H2,1-4H3;9H,5-7H2,1-4H3;4-8H2,1-3H3;9H,5-8H2,1-4H3;4-7H,8H2,1-3H3;5-6H,7H2,1-4H3;4-5H,6H2,1-3H3;4-7H2,1-3H3;6H2,1-5H3,(H2,10,11);6-7H2,1-5H3;8H,5-7H2,1-4H3;4-6H,7H2,1-3H3;6H2,1-5H3
InChIKeyGVESIFLCAQRQEA-UHFFFAOYSA-N
XLogP34.35
TPSA170.49 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds19
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002244.80
LogP ≤ 534.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze 1-(azetidin-1-yl)-3,3-dimethylbutan-1-one;1-(azetidin-1-yl)-4,4-dimethylpentan-1-one;3-(3,3-dimethylbutyl)-1-methylazetidine;4-(3,3-dimethylbutyl)-1-methylpiperidine;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;2-(2,2-dimethylpropyl)-5-fluorothiophene;3-(2,2-dimethylpropyl)-1-methylazetidine;4-(2,2-dimethylpropyl)-1-methylpiperidine;2-(2,2-dimethylpropyl)-5-methylthiophene;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)thiophene;N,N,3,3-tetramethylbutanamide;2,2,4,4-tetramethylpentanamide;N,N,4,4-tetramethylpentanamide with MolForge

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Related Compounds

1-(azetidin-1-yl)-3,3-dimethylbutan-1-one;1-(azetidin-1-yl)-4,4-dimethylpentan-1-one;4-(3,3-dimethylbutyl)-1-methylpiperidine;3-(2,2-dimethylpropyl)-2-fluoropyridine;3-(2,2-dimethylpropyl)-5-fluoropyridine;4-(2,2-dimethylpropyl)-3-fluoropyridine;5-(2,2-dimethylpropyl)-2-fluoropyridine;2-(2,2-dimethylpropyl)-5-fluorothiophene;2-(2,2-dimethylpropyl)-5-methylthiophene;3-(2,2-dimethylpropyl)pyridine;bis(4-(2,2-dimethylpropyl)pyridine);5-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)thiophene;N,N,3,3-tetramethylbutanamide;2,2,4,4-tetramethylpentanamide;N,N,4,4-tetramethylpentanamide
CID 158196102

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-yl)-3,3-dimethylbutan-1-one;1-(azetidin-1-yl)-4,4-dimethylpentan-1-one;3-(3,3-dimethylbutyl)-1-methylazetidine;4-(3,3-dimethylbutyl)-1-methylpiperidine;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;2-(2,2-dimethylpropyl)-5-fluorothiophene;3-(2,2-dimethylpropyl)-1-methylazetidine;4-(2,2-dimethylpropyl)-1-methylpiperidine;2-(2,2-dimethylpropyl)-5-methylthiophene;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)thiophene;N,N,3,3-tetramethylbutanamide;2,2,4,4-tetramethylpentanamide;N,N,4,4-tetramethylpentanamide?
The IUPAC name of 1-(azetidin-1-yl)-3,3-dimethylbutan-1-one;1-(azetidin-1-yl)-4,4-dimethylpentan-1-one;3-(3,3-dimethylbutyl)-1-methylazetidine;4-(3,3-dimethylbutyl)-1-methylpiperidine;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;2-(2,2-dimethylpropyl)-5-fluorothiophene;3-(2,2-dimethylpropyl)-1-methylazetidine;4-(2,2-dimethylpropyl)-1-methylpiperidine;2-(2,2-dimethylpropyl)-5-methylthiophene;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)thiophene;N,N,3,3-tetramethylbutanamide;2,2,4,4-tetramethylpentanamide;N,N,4,4-tetramethylpentanamide (CID 158375969) is 1-(azetidin-1-yl)-3,3-dimethylbutan-1-one;1-(azetidin-1-yl)-4,4-dimethylpentan-1-one;3-(3,3-dimethylbutyl)-1-methylazetidine;4-(3,3-dimethylbutyl)-1-methylpiperidine;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;2-(2,2-dimethylpropyl)-5-fluorothiophene;3-(2,2-dimethylpropyl)-1-methylazetidine;4-(2,2-dimethylpropyl)-1-methylpiperidine;2-(2,2-dimethylpropyl)-5-methylthiophene;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)thiophene;N,N,3,3-tetramethylbutanamide;2,2,4,4-tetramethylpentanamide;N,N,4,4-tetramethylpentanamide.
What is the SMILES notation for 1-(azetidin-1-yl)-3,3-dimethylbutan-1-one;1-(azetidin-1-yl)-4,4-dimethylpentan-1-one;3-(3,3-dimethylbutyl)-1-methylazetidine;4-(3,3-dimethylbutyl)-1-methylpiperidine;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;2-(2,2-dimethylpropyl)-5-fluorothiophene;3-(2,2-dimethylpropyl)-1-methylazetidine;4-(2,2-dimethylpropyl)-1-methylpiperidine;2-(2,2-dimethylpropyl)-5-methylthiophene;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)thiophene;N,N,3,3-tetramethylbutanamide;2,2,4,4-tetramethylpentanamide;N,N,4,4-tetramethylpentanamide?
The canonical SMILES for 1-(azetidin-1-yl)-3,3-dimethylbutan-1-one;1-(azetidin-1-yl)-4,4-dimethylpentan-1-one;3-(3,3-dimethylbutyl)-1-methylazetidine;4-(3,3-dimethylbutyl)-1-methylpiperidine;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;2-(2,2-dimethylpropyl)-5-fluorothiophene;3-(2,2-dimethylpropyl)-1-methylazetidine;4-(2,2-dimethylpropyl)-1-methylpiperidine;2-(2,2-dimethylpropyl)-5-methylthiophene;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)thiophene;N,N,3,3-tetramethylbutanamide;2,2,4,4-tetramethylpentanamide;N,N,4,4-tetramethylpentanamide is CC(=O)N1CC(CC(C)(C)C)C1.CC(C)(C)CC(=O)N1CCC1.CC(C)(C)CC(C)(C)C(N)=O.CC(C)(C)CCC(=O)N1CCC1.CC(C)(C)Cc1ccc(F)s1.CC(C)(C)Cc1cccs1.CC(C)(C)Cc1ccncc1.CN(C)C(=O)CC(C)(C)C.CN(C)C(=O)CCC(C)(C)C.CN1CC(CC(C)(C)C)C1.CN1CC(CCC(C)(C)C)C1.CN1CCC(CC(C)(C)C)CC1.CN1CCC(CCC(C)(C)C)CC1.Cc1ccc(CC(C)(C)C)s1.
What is the InChIKey of 1-(azetidin-1-yl)-3,3-dimethylbutan-1-one;1-(azetidin-1-yl)-4,4-dimethylpentan-1-one;3-(3,3-dimethylbutyl)-1-methylazetidine;4-(3,3-dimethylbutyl)-1-methylpiperidine;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;2-(2,2-dimethylpropyl)-5-fluorothiophene;3-(2,2-dimethylpropyl)-1-methylazetidine;4-(2,2-dimethylpropyl)-1-methylpiperidine;2-(2,2-dimethylpropyl)-5-methylthiophene;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)thiophene;N,N,3,3-tetramethylbutanamide;2,2,4,4-tetramethylpentanamide;N,N,4,4-tetramethylpentanamide?
The InChIKey is GVESIFLCAQRQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N.C11H23N.2C10H19NO.C10H21N.C10H15N.C10H16S.C9H13FS.C9H17NO.2C9H19NO.C9H19N.C9H14S.C8H17NO/c1-12(2,3)8-5-11-6-9-13(4)10-7-11;1-11(2,3)9-10-5-7-12(4)8-6-10;1-8(12)11-6-9(7-11)5-10(2,3)4;1-10(2,3)6-5-9(12)11-7-4-8-11;1-10(2,3)6-5-9-7-11(4)8-9;1-10(2,3)8-9-4-6-11-7-5-9;1-8-5-6-9(11-8)7-10(2,3)4;1-9(2,3)6-7-4-5-8(10)11-7;1-9(2,3)7-8(11)10-5-4-6-10;1-8(2,3)6-9(4,5)7(10)11;1-9(2,3)7-6-8(11)10(4)5;1-9(2,3)5-8-6-10(4)7-8;1-9(2,3)7-8-5-4-6-10-8;1-8(2,3)6-7(10)9(4)5/h11H,5-10H2,1-4H3;10H,5-9H2,1-4H3;9H,5-7H2,1-4H3;4-8H2,1-3H3;9H,5-8H2,1-4H3;4-7H,8H2,1-3H3;5-6H,7H2,1-4H3;4-5H,6H2,1-3H3;4-7H2,1-3H3;6H2,1-5H3,(H2,10,11);6-7H2,1-5H3;8H,5-7H2,1-4H3;4-6H,7H2,1-3H3;6H2,1-5H3.
What are the key properties of 1-(azetidin-1-yl)-3,3-dimethylbutan-1-one;1-(azetidin-1-yl)-4,4-dimethylpentan-1-one;3-(3,3-dimethylbutyl)-1-methylazetidine;4-(3,3-dimethylbutyl)-1-methylpiperidine;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;2-(2,2-dimethylpropyl)-5-fluorothiophene;3-(2,2-dimethylpropyl)-1-methylazetidine;4-(2,2-dimethylpropyl)-1-methylpiperidine;2-(2,2-dimethylpropyl)-5-methylthiophene;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)thiophene;N,N,3,3-tetramethylbutanamide;2,2,4,4-tetramethylpentanamide;N,N,4,4-tetramethylpentanamide?
1-(azetidin-1-yl)-3,3-dimethylbutan-1-one;1-(azetidin-1-yl)-4,4-dimethylpentan-1-one;3-(3,3-dimethylbutyl)-1-methylazetidine;4-(3,3-dimethylbutyl)-1-methylpiperidine;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;2-(2,2-dimethylpropyl)-5-fluorothiophene;3-(2,2-dimethylpropyl)-1-methylazetidine;4-(2,2-dimethylpropyl)-1-methylpiperidine;2-(2,2-dimethylpropyl)-5-methylthiophene;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)thiophene;N,N,3,3-tetramethylbutanamide;2,2,4,4-tetramethylpentanamide;N,N,4,4-tetramethylpentanamide has a molecular weight of 2244.80 g/mol, XLogP of 34.35, 19 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-1-yl)-3,3-dimethylbutan-1-one;1-(azetidin-1-yl)-4,4-dimethylpentan-1-one;3-(3,3-dimethylbutyl)-1-methylazetidine;4-(3,3-dimethylbutyl)-1-methylpiperidine;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;2-(2,2-dimethylpropyl)-5-fluorothiophene;3-(2,2-dimethylpropyl)-1-methylazetidine;4-(2,2-dimethylpropyl)-1-methylpiperidine;2-(2,2-dimethylpropyl)-5-methylthiophene;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)thiophene;N,N,3,3-tetramethylbutanamide;2,2,4,4-tetramethylpentanamide;N,N,4,4-tetramethylpentanamide is sourced from PubChem (CID 158375969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).