1-(3,3-dimethylbutyl)imidazole;1-(3,3-dimethylbutyl)piperidine;1-(3,3-dimethylbutyl)pyrazole;3-(3,3-dimethylbutyl)pyridine;4-(3,3-dimethylbutyl)pyridine;1-(3,3-dimethylbutyl)pyrrolidine;1-(3,3-dimethylbutyl)pyrrolidin-2-one;1-(3,3-dimethylbutyl)-1,2,4-triazole;1-(4,4-dimethylpentyl)pyrrolidin-2-one;2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)morpholine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)-2H-tetrazole;3-(2,2-dimethylpropyl)thiophene

C164H285N21O4S — CID 158037879

About 1-(3,3-dimethylbutyl)imidazole;1-(3,3-dimethylbutyl)piperidine;1-(3,3-dimethylbutyl)pyrazole;3-(3,3-dimethylbutyl)pyridine;4-(3,3-dimethylbutyl)pyridine;1-(3,3-dimethylbutyl)pyrrolidine;1-(3,3-dimethylbutyl)pyrrolidin-2-one;1-(3,3-dimethylbutyl)-1,2,4-triazole;1-(4,4-dimethylpentyl)pyrrolidin-2-one;2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)morpholine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)-2H-tetrazole;3-(2,2-dimethylpropyl)thiophene

1-(3,3-dimethylbutyl)imidazole;1-(3,3-dimethylbutyl)piperidine;1-(3,3-dimethylbutyl)pyrazole;3-(3,3-dimethylbutyl)pyridine;4-(3,3-dimethylbutyl)pyridine;1-(3,3-dimethylbutyl)pyrrolidine;1-(3,3-dimethylbutyl)pyrrolidin-2-one;1-(3,3-dimethylbutyl)-1,2,4-triazole;1-(4,4-dimethylpentyl)pyrrolidin-2-one;2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)morpholine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)-2H-tetrazole;3-(2,2-dimethylpropyl)thiophene (PubChem CID 158037879) has the molecular formula C164H285N21O4S and a molecular weight of 2647.29 g/mol. Its IUPAC name is 1-(3,3-dimethylbutyl)imidazole;1-(3,3-dimethylbutyl)piperidine;1-(3,3-dimethylbutyl)pyrazole;3-(3,3-dimethylbutyl)pyridine;4-(3,3-dimethylbutyl)pyridine;1-(3,3-dimethylbutyl)pyrrolidine;1-(3,3-dimethylbutyl)pyrrolidin-2-one;1-(3,3-dimethylbutyl)-1,2,4-triazole;1-(4,4-dimethylpentyl)pyrrolidin-2-one;2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)morpholine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)-2H-tetrazole;3-(2,2-dimethylpropyl)thiophene.

Molecular Properties

• Compound Name: 1-(3,3-dimethylbutyl)imidazole;1-(3,3-dimethylbutyl)piperidine;1-(3,3-dimethylbutyl)pyrazole;3-(3,3-dimethylbutyl)pyridine;4-(3,3-dimethylbutyl)pyridine;1-(3,3-dimethylbutyl)pyrrolidine;1-(3,3-dimethylbutyl)pyrrolidin-2-one;1-(3,3-dimethylbutyl)-1,2,4-triazole;1-(4,4-dimethylpentyl)pyrrolidin-2-one;2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)morpholine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)-2H-tetrazole;3-(2,2-dimethylpropyl)thiophene
• PubChem CID: 158037879
• Molecular Formula: C164H285N21O4S
• Molecular Weight: 2647.29 g/mol
• Exact Mass: 2645.25
• IUPAC Name: 1-(3,3-dimethylbutyl)imidazole;1-(3,3-dimethylbutyl)piperidine;1-(3,3-dimethylbutyl)pyrazole;3-(3,3-dimethylbutyl)pyridine;4-(3,3-dimethylbutyl)pyridine;1-(3,3-dimethylbutyl)pyrrolidine;1-(3,3-dimethylbutyl)pyrrolidin-2-one;1-(3,3-dimethylbutyl)-1,2,4-triazole;1-(4,4-dimethylpentyl)pyrrolidin-2-one;2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)morpholine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)-2H-tetrazole;3-(2,2-dimethylpropyl)thiophene
• SMILES: CC(C)(C)CC1CNCCO1.CC(C)(C)CCCN1CCCC1=O.CC(C)(C)CCN1CCCC1.CC(C)(C)CCN1CCCC1=O.CC(C)(C)CCN1CCCCC1.CC(C)(C)CCc1cccnc1.CC(C)(C)CCc1ccncc1.CC(C)(C)CCn1cccn1.CC(C)(C)CCn1ccnc1.CC(C)(C)CCn1cncn1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccn1.CC(C)(C)Cc1cccnc1.CC(C)(C)Cc1ccncc1.CC(C)(C)Cc1ccoc1.CC(C)(C)Cc1ccsc1.CC(C)(C)Cc1nn[nH]n1
• InChI: InChI=1S/C11H21NO.2C11H17N.C11H23N.C11H16.C10H19NO.C10H15N.C10H21N.2C10H15N.2C9H16N2.C9H19NO.C9H14O.C9H14S.C8H15N3.C6H12N4/c1-11(2,3)7-5-9-12-8-4-6-10(12)13;1-11(2,3)7-4-10-5-8-12-9-6-10;1-11(2,3)7-6-10-5-4-8-12-9-10;1-11(2,3)7-10-12-8-5-4-6-9-12;1-11(2,3)9-10-7-5-4-6-8-10;1-10(2,3)6-8-11-7-4-5-9(11)12;1-10(2,3)8-9-4-6-11-7-5-9;1-10(2,3)6-9-11-7-4-5-8-11;1-10(2,3)7-9-5-4-6-11-8-9;1-10(2,3)8-9-6-4-5-7-11-9;1-9(2,3)4-6-11-7-5-10-8-11;1-9(2,3)5-8-11-7-4-6-10-11;1-9(2,3)6-8-7-10-4-5-11-8;2*1-9(2,3)6-8-4-5-10-7-8;1-8(2,3)4-5-11-7-9-6-10-11;1-6(2,3)4-5-7-9-10-8-5/h4-9H2,1-3H3;5-6,8-9H,4,7H2,1-3H3;4-5,8-9H,6-7H2,1-3H3;4-10H2,1-3H3;4-8H,9H2,1-3H3;4-8H2,1-3H3;4-7H,8H2,1-3H3;4-9H2,1-3H3;4-6,8H,7H2,1-3H3;4-7H,8H2,1-3H3;5,7-8H,4,6H2,1-3H3;4,6-7H,5,8H2,1-3H3;8,10H,4-7H2,1-3H3;2*4-5,7H,6H2,1-3H3;6-7H,4-5H2,1-3H3;4H2,1-3H3,(H,7,8,9,10)
• InChIKey: FHZHPGDHTJRZDC-UHFFFAOYSA-N
• XLogP: 42.07
• TPSA: 266.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 23
• Rotatable Bonds: 27
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2647.29
LogP ≤ 5	42.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutyl)imidazole;1-(3,3-dimethylbutyl)piperidine;1-(3,3-dimethylbutyl)pyrazole;3-(3,3-dimethylbutyl)pyridine;4-(3,3-dimethylbutyl)pyridine;1-(3,3-dimethylbutyl)pyrrolidine;1-(3,3-dimethylbutyl)pyrrolidin-2-one;1-(3,3-dimethylbutyl)-1,2,4-triazole;1-(4,4-dimethylpentyl)pyrrolidin-2-one;2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)morpholine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)-2H-tetrazole;3-(2,2-dimethylpropyl)thiophene?

The IUPAC name of 1-(3,3-dimethylbutyl)imidazole;1-(3,3-dimethylbutyl)piperidine;1-(3,3-dimethylbutyl)pyrazole;3-(3,3-dimethylbutyl)pyridine;4-(3,3-dimethylbutyl)pyridine;1-(3,3-dimethylbutyl)pyrrolidine;1-(3,3-dimethylbutyl)pyrrolidin-2-one;1-(3,3-dimethylbutyl)-1,2,4-triazole;1-(4,4-dimethylpentyl)pyrrolidin-2-one;2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)morpholine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)-2H-tetrazole;3-(2,2-dimethylpropyl)thiophene (CID 158037879) is 1-(3,3-dimethylbutyl)imidazole;1-(3,3-dimethylbutyl)piperidine;1-(3,3-dimethylbutyl)pyrazole;3-(3,3-dimethylbutyl)pyridine;4-(3,3-dimethylbutyl)pyridine;1-(3,3-dimethylbutyl)pyrrolidine;1-(3,3-dimethylbutyl)pyrrolidin-2-one;1-(3,3-dimethylbutyl)-1,2,4-triazole;1-(4,4-dimethylpentyl)pyrrolidin-2-one;2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)morpholine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)-2H-tetrazole;3-(2,2-dimethylpropyl)thiophene.

What is the SMILES notation for 1-(3,3-dimethylbutyl)imidazole;1-(3,3-dimethylbutyl)piperidine;1-(3,3-dimethylbutyl)pyrazole;3-(3,3-dimethylbutyl)pyridine;4-(3,3-dimethylbutyl)pyridine;1-(3,3-dimethylbutyl)pyrrolidine;1-(3,3-dimethylbutyl)pyrrolidin-2-one;1-(3,3-dimethylbutyl)-1,2,4-triazole;1-(4,4-dimethylpentyl)pyrrolidin-2-one;2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)morpholine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)-2H-tetrazole;3-(2,2-dimethylpropyl)thiophene?

The canonical SMILES for 1-(3,3-dimethylbutyl)imidazole;1-(3,3-dimethylbutyl)piperidine;1-(3,3-dimethylbutyl)pyrazole;3-(3,3-dimethylbutyl)pyridine;4-(3,3-dimethylbutyl)pyridine;1-(3,3-dimethylbutyl)pyrrolidine;1-(3,3-dimethylbutyl)pyrrolidin-2-one;1-(3,3-dimethylbutyl)-1,2,4-triazole;1-(4,4-dimethylpentyl)pyrrolidin-2-one;2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)morpholine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)-2H-tetrazole;3-(2,2-dimethylpropyl)thiophene is CC(C)(C)CC1CNCCO1.CC(C)(C)CCCN1CCCC1=O.CC(C)(C)CCN1CCCC1.CC(C)(C)CCN1CCCC1=O.CC(C)(C)CCN1CCCCC1.CC(C)(C)CCc1cccnc1.CC(C)(C)CCc1ccncc1.CC(C)(C)CCn1cccn1.CC(C)(C)CCn1ccnc1.CC(C)(C)CCn1cncn1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccn1.CC(C)(C)Cc1cccnc1.CC(C)(C)Cc1ccncc1.CC(C)(C)Cc1ccoc1.CC(C)(C)Cc1ccsc1.CC(C)(C)Cc1nn[nH]n1.

What is the InChIKey of 1-(3,3-dimethylbutyl)imidazole;1-(3,3-dimethylbutyl)piperidine;1-(3,3-dimethylbutyl)pyrazole;3-(3,3-dimethylbutyl)pyridine;4-(3,3-dimethylbutyl)pyridine;1-(3,3-dimethylbutyl)pyrrolidine;1-(3,3-dimethylbutyl)pyrrolidin-2-one;1-(3,3-dimethylbutyl)-1,2,4-triazole;1-(4,4-dimethylpentyl)pyrrolidin-2-one;2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)morpholine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)-2H-tetrazole;3-(2,2-dimethylpropyl)thiophene?

The InChIKey is FHZHPGDHTJRZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO.2C11H17N.C11H23N.C11H16.C10H19NO.C10H15N.C10H21N.2C10H15N.2C9H16N2.C9H19NO.C9H14O.C9H14S.C8H15N3.C6H12N4/c1-11(2,3)7-5-9-12-8-4-6-10(12)13;1-11(2,3)7-4-10-5-8-12-9-6-10;1-11(2,3)7-6-10-5-4-8-12-9-10;1-11(2,3)7-10-12-8-5-4-6-9-12;1-11(2,3)9-10-7-5-4-6-8-10;1-10(2,3)6-8-11-7-4-5-9(11)12;1-10(2,3)8-9-4-6-11-7-5-9;1-10(2,3)6-9-11-7-4-5-8-11;1-10(2,3)7-9-5-4-6-11-8-9;1-10(2,3)8-9-6-4-5-7-11-9;1-9(2,3)4-6-11-7-5-10-8-11;1-9(2,3)5-8-11-7-4-6-10-11;1-9(2,3)6-8-7-10-4-5-11-8;2*1-9(2,3)6-8-4-5-10-7-8;1-8(2,3)4-5-11-7-9-6-10-11;1-6(2,3)4-5-7-9-10-8-5/h4-9H2,1-3H3;5-6,8-9H,4,7H2,1-3H3;4-5,8-9H,6-7H2,1-3H3;4-10H2,1-3H3;4-8H,9H2,1-3H3;4-8H2,1-3H3;4-7H,8H2,1-3H3;4-9H2,1-3H3;4-6,8H,7H2,1-3H3;4-7H,8H2,1-3H3;5,7-8H,4,6H2,1-3H3;4,6-7H,5,8H2,1-3H3;8,10H,4-7H2,1-3H3;2*4-5,7H,6H2,1-3H3;6-7H,4-5H2,1-3H3;4H2,1-3H3,(H,7,8,9,10).

What are the key properties of 1-(3,3-dimethylbutyl)imidazole;1-(3,3-dimethylbutyl)piperidine;1-(3,3-dimethylbutyl)pyrazole;3-(3,3-dimethylbutyl)pyridine;4-(3,3-dimethylbutyl)pyridine;1-(3,3-dimethylbutyl)pyrrolidine;1-(3,3-dimethylbutyl)pyrrolidin-2-one;1-(3,3-dimethylbutyl)-1,2,4-triazole;1-(4,4-dimethylpentyl)pyrrolidin-2-one;2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)morpholine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)-2H-tetrazole;3-(2,2-dimethylpropyl)thiophene?

1-(3,3-dimethylbutyl)imidazole;1-(3,3-dimethylbutyl)piperidine;1-(3,3-dimethylbutyl)pyrazole;3-(3,3-dimethylbutyl)pyridine;4-(3,3-dimethylbutyl)pyridine;1-(3,3-dimethylbutyl)pyrrolidine;1-(3,3-dimethylbutyl)pyrrolidin-2-one;1-(3,3-dimethylbutyl)-1,2,4-triazole;1-(4,4-dimethylpentyl)pyrrolidin-2-one;2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)morpholine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)-2H-tetrazole;3-(2,2-dimethylpropyl)thiophene has a molecular weight of 2647.29 g/mol, XLogP of 42.07, 27 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,3-dimethylbutyl)imidazole;1-(3,3-dimethylbutyl)piperidine;1-(3,3-dimethylbutyl)pyrazole;3-(3,3-dimethylbutyl)pyridine;4-(3,3-dimethylbutyl)pyridine;1-(3,3-dimethylbutyl)pyrrolidine;1-(3,3-dimethylbutyl)pyrrolidin-2-one;1-(3,3-dimethylbutyl)-1,2,4-triazole;1-(4,4-dimethylpentyl)pyrrolidin-2-one;2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)morpholine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)-2H-tetrazole;3-(2,2-dimethylpropyl)thiophene is sourced from PubChem (CID 158037879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).