methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine

C37H72N4 — CID 159354677

About methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine

methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine (PubChem CID 159354677) has the molecular formula C37H72N4 and a molecular weight of 573.01 g/mol. Its IUPAC name is methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine.

Molecular Properties

• Compound Name: methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine
• PubChem CID: 159354677
• Molecular Formula: C37H72N4
• Molecular Weight: 573.01 g/mol
• Exact Mass: 572.58
• IUPAC Name: methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine
• SMILES: C.CC(C)C1=CCN(C)CC1.CC(C)C1CCN(C)CC1.CC(C)N1CCN(C)CC1.Cc1ccc(C(C)C)cc1
• InChI: InChI=1S/C10H14.C9H19N.C9H17N.C8H18N2.CH4/c1-8(2)10-6-4-9(3)5-7-10;2*1-8(2)9-4-6-10(3)7-5-9;1-8(2)10-6-4-9(3)5-7-10;/h4-8H,1-3H3;8-9H,4-7H2,1-3H3;4,8H,5-7H2,1-3H3;8H,4-7H2,1-3H3;1H4
• InChIKey: LHTTYHOHIVONOW-UHFFFAOYSA-N
• XLogP: 8.29
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	573.01
LogP ≤ 5	8.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine?

The IUPAC name of methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine (CID 159354677) is methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine.

What is the SMILES notation for methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine?

The canonical SMILES for methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine is C.CC(C)C1=CCN(C)CC1.CC(C)C1CCN(C)CC1.CC(C)N1CCN(C)CC1.Cc1ccc(C(C)C)cc1.

What is the InChIKey of methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine?

The InChIKey is LHTTYHOHIVONOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.C9H19N.C9H17N.C8H18N2.CH4/c1-8(2)10-6-4-9(3)5-7-10;2*1-8(2)9-4-6-10(3)7-5-9;1-8(2)10-6-4-9(3)5-7-10;/h4-8H,1-3H3;8-9H,4-7H2,1-3H3;4,8H,5-7H2,1-3H3;8H,4-7H2,1-3H3;1H4.

What are the key properties of methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine?

methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine has a molecular weight of 573.01 g/mol, XLogP of 8.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine is sourced from PubChem (CID 159354677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).