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

C164H274F5N15O5S3 — CID 158196102

About 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

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 (PubChem CID 158196102) has the molecular formula C164H274F5N15O5S3 and a molecular weight of 2727.29 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 158196102
• Molecular Formula: C164H274F5N15O5S3
• Molecular Weight: 2727.29 g/mol
• Exact Mass: 2725.07
• IUPAC Name: 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
• SMILES: 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)nc1.CC(C)(C)Cc1ccc(F)s1.CC(C)(C)Cc1cccnc1.CC(C)(C)Cc1cccnc1F.CC(C)(C)Cc1cccs1.CC(C)(C)Cc1ccncc1.CC(C)(C)Cc1ccncc1.CC(C)(C)Cc1ccncc1F.CC(C)(C)Cc1cncc(F)c1.CC(C)(C)Cc1cncnc1.CN(C)C(=O)CC(C)(C)C.CN(C)C(=O)CCC(C)(C)C.CN1CCC(CCC(C)(C)C)CC1.Cc1ccc(CC(C)(C)C)s1
• InChI: InChI=1S/C12H25N.4C10H14FN.C10H19NO.3C10H15N.C10H16S.C9H13FS.C9H14N2.C9H17NO.2C9H19NO.C9H14S.C8H17NO/c1-12(2,3)8-5-11-6-9-13(4)10-7-11;1-10(2,3)5-8-4-9(11)7-12-6-8;1-10(2,3)6-8-4-5-12-7-9(8)11;1-10(2,3)6-8-4-5-9(11)12-7-8;1-10(2,3)7-8-5-4-6-12-9(8)11;1-10(2,3)6-5-9(12)11-7-4-8-11;2*1-10(2,3)8-9-4-6-11-7-5-9;1-10(2,3)7-9-5-4-6-11-8-9;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)4-8-5-10-7-11-6-8;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)7-8-5-4-6-10-8;1-8(2,3)6-7(10)9(4)5/h11H,5-10H2,1-4H3;4,6-7H,5H2,1-3H3;2*4-5,7H,6H2,1-3H3;4-6H,7H2,1-3H3;4-8H2,1-3H3;2*4-7H,8H2,1-3H3;4-6,8H,7H2,1-3H3;5-6H,7H2,1-4H3;4-5H,6H2,1-3H3;5-7H,4H2,1-3H3;4-7H2,1-3H3;6H2,1-5H3,(H2,10,11);6-7H2,1-5H3;4-6H,7H2,1-3H3;6H2,1-5H3
• InChIKey: GAIWUTWLPJERAF-UHFFFAOYSA-N
• XLogP: 43.97
• TPSA: 243.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 21
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2727.29
LogP ≤ 5	43.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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;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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is 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)nc1.CC(C)(C)Cc1ccc(F)s1.CC(C)(C)Cc1cccnc1.CC(C)(C)Cc1cccnc1F.CC(C)(C)Cc1cccs1.CC(C)(C)Cc1ccncc1.CC(C)(C)Cc1ccncc1.CC(C)(C)Cc1ccncc1F.CC(C)(C)Cc1cncc(F)c1.CC(C)(C)Cc1cncnc1.CN(C)C(=O)CC(C)(C)C.CN(C)C(=O)CCC(C)(C)C.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;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?

The InChIKey is GAIWUTWLPJERAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N.4C10H14FN.C10H19NO.3C10H15N.C10H16S.C9H13FS.C9H14N2.C9H17NO.2C9H19NO.C9H14S.C8H17NO/c1-12(2,3)8-5-11-6-9-13(4)10-7-11;1-10(2,3)5-8-4-9(11)7-12-6-8;1-10(2,3)6-8-4-5-12-7-9(8)11;1-10(2,3)6-8-4-5-9(11)12-7-8;1-10(2,3)7-8-5-4-6-12-9(8)11;1-10(2,3)6-5-9(12)11-7-4-8-11;2*1-10(2,3)8-9-4-6-11-7-5-9;1-10(2,3)7-9-5-4-6-11-8-9;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)4-8-5-10-7-11-6-8;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)7-8-5-4-6-10-8;1-8(2,3)6-7(10)9(4)5/h11H,5-10H2,1-4H3;4,6-7H,5H2,1-3H3;2*4-5,7H,6H2,1-3H3;4-6H,7H2,1-3H3;4-8H2,1-3H3;2*4-7H,8H2,1-3H3;4-6,8H,7H2,1-3H3;5-6H,7H2,1-4H3;4-5H,6H2,1-3H3;5-7H,4H2,1-3H3;4-7H2,1-3H3;6H2,1-5H3,(H2,10,11);6-7H2,1-5H3;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;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?

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 has a molecular weight of 2727.29 g/mol, XLogP of 43.97, 21 rotatable bonds, 1 hydrogen bond donors, and 18 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;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 is sourced from PubChem (CID 158196102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).