1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,3-di(propan-2-yl)-2,5-dihydropyrrole;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrole;1,3-di(propan-2-yl)pyrrolidine;methane

C76H158N8 — CID 159580515

About 1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,3-di(propan-2-yl)-2,5-dihydropyrrole;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrole;1,3-di(propan-2-yl)pyrrolidine;methane

1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,3-di(propan-2-yl)-2,5-dihydropyrrole;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrole;1,3-di(propan-2-yl)pyrrolidine;methane (PubChem CID 159580515) has the molecular formula C76H158N8 and a molecular weight of 1184.16 g/mol. Its IUPAC name is 1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,3-di(propan-2-yl)-2,5-dihydropyrrole;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrole;1,3-di(propan-2-yl)pyrrolidine;methane.

Molecular Properties

• Compound Name: 1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,3-di(propan-2-yl)-2,5-dihydropyrrole;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrole;1,3-di(propan-2-yl)pyrrolidine;methane
• PubChem CID: 159580515
• Molecular Formula: C76H158N8
• Molecular Weight: 1184.16 g/mol
• Exact Mass: 1183.26
• IUPAC Name: 1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,3-di(propan-2-yl)-2,5-dihydropyrrole;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrole;1,3-di(propan-2-yl)pyrrolidine;methane
• SMILES: C.C.C.CC(C)C1=CCN(C(C)C)C1.CC(C)C1=CCN(C(C)C)CC1.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)N1CCN(C(C)C)CC1.CC(C)c1ccn(C(C)C)c1
• InChI: InChI=1S/C11H23N.C11H21N.C11H23N.C10H22N2.C10H21N.C10H19N.C10H17N.3CH4/c2*1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;3*1-8(2)10-5-6-11(7-10)9(3)4;;;/h9-11H,5-8H2,1-4H3;5,9-10H,6-8H2,1-4H3;9-11H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3;8-10H,5-7H2,1-4H3;5,8-9H,6-7H2,1-4H3;5-9H,1-4H3;3*1H4
• InChIKey: MIYPMLHYRYZQRU-UHFFFAOYSA-N
• XLogP: 19.40
• TPSA: 27.61 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1184.16
LogP ≤ 5	19.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,3-di(propan-2-yl)-2,5-dihydropyrrole;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrole;1,3-di(propan-2-yl)pyrrolidine;methane?

The IUPAC name of 1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,3-di(propan-2-yl)-2,5-dihydropyrrole;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrole;1,3-di(propan-2-yl)pyrrolidine;methane (CID 159580515) is 1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,3-di(propan-2-yl)-2,5-dihydropyrrole;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrole;1,3-di(propan-2-yl)pyrrolidine;methane.

What is the SMILES notation for 1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,3-di(propan-2-yl)-2,5-dihydropyrrole;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrole;1,3-di(propan-2-yl)pyrrolidine;methane?

The canonical SMILES for 1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,3-di(propan-2-yl)-2,5-dihydropyrrole;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrole;1,3-di(propan-2-yl)pyrrolidine;methane is C.C.C.CC(C)C1=CCN(C(C)C)C1.CC(C)C1=CCN(C(C)C)CC1.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)N1CCN(C(C)C)CC1.CC(C)c1ccn(C(C)C)c1.

What is the InChIKey of 1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,3-di(propan-2-yl)-2,5-dihydropyrrole;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrole;1,3-di(propan-2-yl)pyrrolidine;methane?

The InChIKey is MIYPMLHYRYZQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N.C11H21N.C11H23N.C10H22N2.C10H21N.C10H19N.C10H17N.3CH4/c2*1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;3*1-8(2)10-5-6-11(7-10)9(3)4;;;/h9-11H,5-8H2,1-4H3;5,9-10H,6-8H2,1-4H3;9-11H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3;8-10H,5-7H2,1-4H3;5,8-9H,6-7H2,1-4H3;5-9H,1-4H3;3*1H4.

What are the key properties of 1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,3-di(propan-2-yl)-2,5-dihydropyrrole;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrole;1,3-di(propan-2-yl)pyrrolidine;methane?

1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,3-di(propan-2-yl)-2,5-dihydropyrrole;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrole;1,3-di(propan-2-yl)pyrrolidine;methane has a molecular weight of 1184.16 g/mol, XLogP of 19.40, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,3-di(propan-2-yl)-2,5-dihydropyrrole;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrole;1,3-di(propan-2-yl)pyrrolidine;methane is sourced from PubChem (CID 159580515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).