2,2-dimethylpropylbenzene;2,2-dimethylpropylcyclohexane;4-(2,2-dimethylpropyl)morpholine;4-(2,2-dimethylpropyl)oxane;1-(2,2-dimethylpropyl)piperazine;1-(2,2-dimethylpropyl)piperidine;4-(2,2-dimethylpropyl)piperidine;4-(2,2-dimethylpropyl)-1H-pyrazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)pyrimidine;4-(2,2-dimethylpropyl)-1,2,3,6-tetrahydropyridine;4-(2,2-dimethylpropyl)-1,4-thiazinane 1,1-dioxide;4-(2,2-dimethylpropyl)-1,4-thiazinane 1-oxide;4-(2,2-dimethylpropyl)thiomorpholine

C154H288N16O5S3 — CID 157356334

About 2,2-dimethylpropylbenzene;2,2-dimethylpropylcyclohexane;4-(2,2-dimethylpropyl)morpholine;4-(2,2-dimethylpropyl)oxane;1-(2,2-dimethylpropyl)piperazine;1-(2,2-dimethylpropyl)piperidine;4-(2,2-dimethylpropyl)piperidine;4-(2,2-dimethylpropyl)-1H-pyrazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)pyrimidine;4-(2,2-dimethylpropyl)-1,2,3,6-tetrahydropyridine;4-(2,2-dimethylpropyl)-1,4-thiazinane 1,1-dioxide;4-(2,2-dimethylpropyl)-1,4-thiazinane 1-oxide;4-(2,2-dimethylpropyl)thiomorpholine

2,2-dimethylpropylbenzene;2,2-dimethylpropylcyclohexane;4-(2,2-dimethylpropyl)morpholine;4-(2,2-dimethylpropyl)oxane;1-(2,2-dimethylpropyl)piperazine;1-(2,2-dimethylpropyl)piperidine;4-(2,2-dimethylpropyl)piperidine;4-(2,2-dimethylpropyl)-1H-pyrazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)pyrimidine;4-(2,2-dimethylpropyl)-1,2,3,6-tetrahydropyridine;4-(2,2-dimethylpropyl)-1,4-thiazinane 1,1-dioxide;4-(2,2-dimethylpropyl)-1,4-thiazinane 1-oxide;4-(2,2-dimethylpropyl)thiomorpholine (PubChem CID 157356334) has the molecular formula C154H288N16O5S3 and a molecular weight of 2540.31 g/mol. Its IUPAC name is 2,2-dimethylpropylbenzene;2,2-dimethylpropylcyclohexane;4-(2,2-dimethylpropyl)morpholine;4-(2,2-dimethylpropyl)oxane;1-(2,2-dimethylpropyl)piperazine;1-(2,2-dimethylpropyl)piperidine;4-(2,2-dimethylpropyl)piperidine;4-(2,2-dimethylpropyl)-1H-pyrazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)pyrimidine;4-(2,2-dimethylpropyl)-1,2,3,6-tetrahydropyridine;4-(2,2-dimethylpropyl)-1,4-thiazinane 1,1-dioxide;4-(2,2-dimethylpropyl)-1,4-thiazinane 1-oxide;4-(2,2-dimethylpropyl)thiomorpholine.

Molecular Properties

• Compound Name: 2,2-dimethylpropylbenzene;2,2-dimethylpropylcyclohexane;4-(2,2-dimethylpropyl)morpholine;4-(2,2-dimethylpropyl)oxane;1-(2,2-dimethylpropyl)piperazine;1-(2,2-dimethylpropyl)piperidine;4-(2,2-dimethylpropyl)piperidine;4-(2,2-dimethylpropyl)-1H-pyrazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)pyrimidine;4-(2,2-dimethylpropyl)-1,2,3,6-tetrahydropyridine;4-(2,2-dimethylpropyl)-1,4-thiazinane 1,1-dioxide;4-(2,2-dimethylpropyl)-1,4-thiazinane 1-oxide;4-(2,2-dimethylpropyl)thiomorpholine
• PubChem CID: 157356334
• Molecular Formula: C154H288N16O5S3
• Molecular Weight: 2540.31 g/mol
• Exact Mass: 2538.19
• IUPAC Name: 2,2-dimethylpropylbenzene;2,2-dimethylpropylcyclohexane;4-(2,2-dimethylpropyl)morpholine;4-(2,2-dimethylpropyl)oxane;1-(2,2-dimethylpropyl)piperazine;1-(2,2-dimethylpropyl)piperidine;4-(2,2-dimethylpropyl)piperidine;4-(2,2-dimethylpropyl)-1H-pyrazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)pyrimidine;4-(2,2-dimethylpropyl)-1,2,3,6-tetrahydropyridine;4-(2,2-dimethylpropyl)-1,4-thiazinane 1,1-dioxide;4-(2,2-dimethylpropyl)-1,4-thiazinane 1-oxide;4-(2,2-dimethylpropyl)thiomorpholine
• SMILES: CC(C)(C)CC1=CCNCC1.CC(C)(C)CC1CCCCC1.CC(C)(C)CC1CCNCC1.CC(C)(C)CC1CCOCC1.CC(C)(C)CN1CCCCC1.CC(C)(C)CN1CCNCC1.CC(C)(C)CN1CCOCC1.CC(C)(C)CN1CCS(=O)(=O)CC1.CC(C)(C)CN1CCS(=O)CC1.CC(C)(C)CN1CCSCC1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccn1.CC(C)(C)Cc1cccnc1.CC(C)(C)Cc1ccncc1.CC(C)(C)Cc1cn[nH]c1.CC(C)(C)Cc1cncnc1
• InChI: InChI=1S/C11H22.C11H16.C10H21N.C10H19N.3C10H15N.C10H21N.C10H20O.C9H14N2.C9H20N2.C9H19NO2S.C9H19NOS.C9H19NO.C9H19NS.C8H14N2/c2*1-11(2,3)9-10-7-5-4-6-8-10;3*1-10(2,3)8-9-4-6-11-7-5-9;1-10(2,3)7-9-5-4-6-11-8-9;1-10(2,3)8-9-6-4-5-7-11-9;1-10(2,3)9-11-7-5-4-6-8-11;1-10(2,3)8-9-4-6-11-7-5-9;1-9(2,3)4-8-5-10-7-11-6-8;1-9(2,3)8-11-6-4-10-5-7-11;1-9(2,3)8-10-4-6-13(11,12)7-5-10;1-9(2,3)8-10-4-6-12(11)7-5-10;2*1-9(2,3)8-10-4-6-11-7-5-10;1-8(2,3)4-7-5-9-10-6-7/h10H,4-9H2,1-3H3;4-8H,9H2,1-3H3;9,11H,4-8H2,1-3H3;4,11H,5-8H2,1-3H3;4-7H,8H2,1-3H3;4-6,8H,7H2,1-3H3;4-7H,8H2,1-3H3;4-9H2,1-3H3;9H,4-8H2,1-3H3;5-7H,4H2,1-3H3;10H,4-8H2,1-3H3;4-8H2,1-3H3;4-8H2,1-3H3;2*4-8H2,1-3H3;5-6H,4H2,1-3H3,(H,9,10)
• InChIKey: BICWNJBDHHFDPW-UHFFFAOYSA-N
• XLogP: 35.73
• TPSA: 218.33 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 16
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2540.31
LogP ≤ 5	35.73
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropylbenzene;2,2-dimethylpropylcyclohexane;4-(2,2-dimethylpropyl)morpholine;4-(2,2-dimethylpropyl)oxane;1-(2,2-dimethylpropyl)piperazine;1-(2,2-dimethylpropyl)piperidine;4-(2,2-dimethylpropyl)piperidine;4-(2,2-dimethylpropyl)-1H-pyrazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)pyrimidine;4-(2,2-dimethylpropyl)-1,2,3,6-tetrahydropyridine;4-(2,2-dimethylpropyl)-1,4-thiazinane 1,1-dioxide;4-(2,2-dimethylpropyl)-1,4-thiazinane 1-oxide;4-(2,2-dimethylpropyl)thiomorpholine?

The IUPAC name of 2,2-dimethylpropylbenzene;2,2-dimethylpropylcyclohexane;4-(2,2-dimethylpropyl)morpholine;4-(2,2-dimethylpropyl)oxane;1-(2,2-dimethylpropyl)piperazine;1-(2,2-dimethylpropyl)piperidine;4-(2,2-dimethylpropyl)piperidine;4-(2,2-dimethylpropyl)-1H-pyrazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)pyrimidine;4-(2,2-dimethylpropyl)-1,2,3,6-tetrahydropyridine;4-(2,2-dimethylpropyl)-1,4-thiazinane 1,1-dioxide;4-(2,2-dimethylpropyl)-1,4-thiazinane 1-oxide;4-(2,2-dimethylpropyl)thiomorpholine (CID 157356334) is 2,2-dimethylpropylbenzene;2,2-dimethylpropylcyclohexane;4-(2,2-dimethylpropyl)morpholine;4-(2,2-dimethylpropyl)oxane;1-(2,2-dimethylpropyl)piperazine;1-(2,2-dimethylpropyl)piperidine;4-(2,2-dimethylpropyl)piperidine;4-(2,2-dimethylpropyl)-1H-pyrazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)pyrimidine;4-(2,2-dimethylpropyl)-1,2,3,6-tetrahydropyridine;4-(2,2-dimethylpropyl)-1,4-thiazinane 1,1-dioxide;4-(2,2-dimethylpropyl)-1,4-thiazinane 1-oxide;4-(2,2-dimethylpropyl)thiomorpholine.

What is the SMILES notation for 2,2-dimethylpropylbenzene;2,2-dimethylpropylcyclohexane;4-(2,2-dimethylpropyl)morpholine;4-(2,2-dimethylpropyl)oxane;1-(2,2-dimethylpropyl)piperazine;1-(2,2-dimethylpropyl)piperidine;4-(2,2-dimethylpropyl)piperidine;4-(2,2-dimethylpropyl)-1H-pyrazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)pyrimidine;4-(2,2-dimethylpropyl)-1,2,3,6-tetrahydropyridine;4-(2,2-dimethylpropyl)-1,4-thiazinane 1,1-dioxide;4-(2,2-dimethylpropyl)-1,4-thiazinane 1-oxide;4-(2,2-dimethylpropyl)thiomorpholine?

The canonical SMILES for 2,2-dimethylpropylbenzene;2,2-dimethylpropylcyclohexane;4-(2,2-dimethylpropyl)morpholine;4-(2,2-dimethylpropyl)oxane;1-(2,2-dimethylpropyl)piperazine;1-(2,2-dimethylpropyl)piperidine;4-(2,2-dimethylpropyl)piperidine;4-(2,2-dimethylpropyl)-1H-pyrazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)pyrimidine;4-(2,2-dimethylpropyl)-1,2,3,6-tetrahydropyridine;4-(2,2-dimethylpropyl)-1,4-thiazinane 1,1-dioxide;4-(2,2-dimethylpropyl)-1,4-thiazinane 1-oxide;4-(2,2-dimethylpropyl)thiomorpholine is CC(C)(C)CC1=CCNCC1.CC(C)(C)CC1CCCCC1.CC(C)(C)CC1CCNCC1.CC(C)(C)CC1CCOCC1.CC(C)(C)CN1CCCCC1.CC(C)(C)CN1CCNCC1.CC(C)(C)CN1CCOCC1.CC(C)(C)CN1CCS(=O)(=O)CC1.CC(C)(C)CN1CCS(=O)CC1.CC(C)(C)CN1CCSCC1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccn1.CC(C)(C)Cc1cccnc1.CC(C)(C)Cc1ccncc1.CC(C)(C)Cc1cn[nH]c1.CC(C)(C)Cc1cncnc1.

What is the InChIKey of 2,2-dimethylpropylbenzene;2,2-dimethylpropylcyclohexane;4-(2,2-dimethylpropyl)morpholine;4-(2,2-dimethylpropyl)oxane;1-(2,2-dimethylpropyl)piperazine;1-(2,2-dimethylpropyl)piperidine;4-(2,2-dimethylpropyl)piperidine;4-(2,2-dimethylpropyl)-1H-pyrazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)pyrimidine;4-(2,2-dimethylpropyl)-1,2,3,6-tetrahydropyridine;4-(2,2-dimethylpropyl)-1,4-thiazinane 1,1-dioxide;4-(2,2-dimethylpropyl)-1,4-thiazinane 1-oxide;4-(2,2-dimethylpropyl)thiomorpholine?

The InChIKey is BICWNJBDHHFDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22.C11H16.C10H21N.C10H19N.3C10H15N.C10H21N.C10H20O.C9H14N2.C9H20N2.C9H19NO2S.C9H19NOS.C9H19NO.C9H19NS.C8H14N2/c2*1-11(2,3)9-10-7-5-4-6-8-10;3*1-10(2,3)8-9-4-6-11-7-5-9;1-10(2,3)7-9-5-4-6-11-8-9;1-10(2,3)8-9-6-4-5-7-11-9;1-10(2,3)9-11-7-5-4-6-8-11;1-10(2,3)8-9-4-6-11-7-5-9;1-9(2,3)4-8-5-10-7-11-6-8;1-9(2,3)8-11-6-4-10-5-7-11;1-9(2,3)8-10-4-6-13(11,12)7-5-10;1-9(2,3)8-10-4-6-12(11)7-5-10;2*1-9(2,3)8-10-4-6-11-7-5-10;1-8(2,3)4-7-5-9-10-6-7/h10H,4-9H2,1-3H3;4-8H,9H2,1-3H3;9,11H,4-8H2,1-3H3;4,11H,5-8H2,1-3H3;4-7H,8H2,1-3H3;4-6,8H,7H2,1-3H3;4-7H,8H2,1-3H3;4-9H2,1-3H3;9H,4-8H2,1-3H3;5-7H,4H2,1-3H3;10H,4-8H2,1-3H3;4-8H2,1-3H3;4-8H2,1-3H3;2*4-8H2,1-3H3;5-6H,4H2,1-3H3,(H,9,10).

What are the key properties of 2,2-dimethylpropylbenzene;2,2-dimethylpropylcyclohexane;4-(2,2-dimethylpropyl)morpholine;4-(2,2-dimethylpropyl)oxane;1-(2,2-dimethylpropyl)piperazine;1-(2,2-dimethylpropyl)piperidine;4-(2,2-dimethylpropyl)piperidine;4-(2,2-dimethylpropyl)-1H-pyrazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)pyrimidine;4-(2,2-dimethylpropyl)-1,2,3,6-tetrahydropyridine;4-(2,2-dimethylpropyl)-1,4-thiazinane 1,1-dioxide;4-(2,2-dimethylpropyl)-1,4-thiazinane 1-oxide;4-(2,2-dimethylpropyl)thiomorpholine?

2,2-dimethylpropylbenzene;2,2-dimethylpropylcyclohexane;4-(2,2-dimethylpropyl)morpholine;4-(2,2-dimethylpropyl)oxane;1-(2,2-dimethylpropyl)piperazine;1-(2,2-dimethylpropyl)piperidine;4-(2,2-dimethylpropyl)piperidine;4-(2,2-dimethylpropyl)-1H-pyrazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)pyrimidine;4-(2,2-dimethylpropyl)-1,2,3,6-tetrahydropyridine;4-(2,2-dimethylpropyl)-1,4-thiazinane 1,1-dioxide;4-(2,2-dimethylpropyl)-1,4-thiazinane 1-oxide;4-(2,2-dimethylpropyl)thiomorpholine has a molecular weight of 2540.31 g/mol, XLogP of 35.73, 16 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethylpropylbenzene;2,2-dimethylpropylcyclohexane;4-(2,2-dimethylpropyl)morpholine;4-(2,2-dimethylpropyl)oxane;1-(2,2-dimethylpropyl)piperazine;1-(2,2-dimethylpropyl)piperidine;4-(2,2-dimethylpropyl)piperidine;4-(2,2-dimethylpropyl)-1H-pyrazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)pyrimidine;4-(2,2-dimethylpropyl)-1,2,3,6-tetrahydropyridine;4-(2,2-dimethylpropyl)-1,4-thiazinane 1,1-dioxide;4-(2,2-dimethylpropyl)-1,4-thiazinane 1-oxide;4-(2,2-dimethylpropyl)thiomorpholine is sourced from PubChem (CID 157356334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).