methane;1-(2-methylpropyl)-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-propan-2-ylpiperidine

C37H80N4 — CID 160984417

About methane;1-(2-methylpropyl)-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-propan-2-ylpiperidine

methane;1-(2-methylpropyl)-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-propan-2-ylpiperidine (PubChem CID 160984417) has the molecular formula C37H80N4 and a molecular weight of 581.08 g/mol. Its IUPAC name is methane;1-(2-methylpropyl)-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-propan-2-ylpiperidine.

Molecular Properties

• Compound Name: methane;1-(2-methylpropyl)-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-propan-2-ylpiperidine
• PubChem CID: 160984417
• Molecular Formula: C37H80N4
• Molecular Weight: 581.08 g/mol
• Exact Mass: 580.64
• IUPAC Name: methane;1-(2-methylpropyl)-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-propan-2-ylpiperidine
• SMILES: C.C.CC(C)CN1CC=C(C(C)C)CC1.CC(C)CN1CCC(C(C)C)CC1.CC(C)CN1CCN(C(C)C)CC1
• InChI: InChI=1S/C12H25N.C12H23N.C11H24N2.2CH4/c2*1-10(2)9-13-7-5-12(6-8-13)11(3)4;1-10(2)9-12-5-7-13(8-6-12)11(3)4;;/h10-12H,5-9H2,1-4H3;5,10-11H,6-9H2,1-4H3;10-11H,5-9H2,1-4H3;2*1H4
• InChIKey: SZXYVKYCBXBDGE-UHFFFAOYSA-N
• XLogP: 8.88
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	581.08
LogP ≤ 5	8.88
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-(2-methylpropyl)-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-propan-2-ylpiperidine?

The IUPAC name of methane;1-(2-methylpropyl)-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-propan-2-ylpiperidine (CID 160984417) is methane;1-(2-methylpropyl)-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-propan-2-ylpiperidine.

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

The canonical SMILES for methane;1-(2-methylpropyl)-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-propan-2-ylpiperidine is C.C.CC(C)CN1CC=C(C(C)C)CC1.CC(C)CN1CCC(C(C)C)CC1.CC(C)CN1CCN(C(C)C)CC1.

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

The InChIKey is SZXYVKYCBXBDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N.C12H23N.C11H24N2.2CH4/c2*1-10(2)9-13-7-5-12(6-8-13)11(3)4;1-10(2)9-12-5-7-13(8-6-12)11(3)4;;/h10-12H,5-9H2,1-4H3;5,10-11H,6-9H2,1-4H3;10-11H,5-9H2,1-4H3;2*1H4.

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

methane;1-(2-methylpropyl)-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-propan-2-ylpiperidine has a molecular weight of 581.08 g/mol, XLogP of 8.88, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for methane;1-(2-methylpropyl)-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-propan-2-ylpiperidine is sourced from PubChem (CID 160984417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).