methane;1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine;6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;molecular hydrogen

C35H75N5 — CID 160775758

About methane;1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine;6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;molecular hydrogen

methane;1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine;6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;molecular hydrogen (PubChem CID 160775758) has the molecular formula C35H75N5 and a molecular weight of 566.02 g/mol. Its IUPAC name is methane;1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine;6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;molecular hydrogen.

Molecular Properties

• Compound Name: methane;1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine;6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;molecular hydrogen
• PubChem CID: 160775758
• Molecular Formula: C35H75N5
• Molecular Weight: 566.02 g/mol
• Exact Mass: 565.60
• IUPAC Name: methane;1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine;6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;molecular hydrogen
• SMILES: C.C.C.CN1C2CCC1CC2.CN1CC2CCC1CC2.CN1CCC2CCNC2C1.CN1CCCC2CCCC21.[H][H]
• InChI: InChI=1S/C9H17N.C8H16N2.C8H15N.C7H13N.3CH4.H2/c1-10-7-3-5-8-4-2-6-9(8)10;1-10-5-3-7-2-4-9-8(7)6-10;1-9-6-7-2-4-8(9)5-3-7;1-8-6-2-3-7(8)5-4-6;;;;/h8-9H,2-7H2,1H3;7-9H,2-6H2,1H3;7-8H,2-6H2,1H3;6-7H,2-5H2,1H3;3*1H4;1H
• InChIKey: RZXOCHBJJDNQKH-UHFFFAOYSA-N
• XLogP: 7.07
• TPSA: 24.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	566.02
LogP ≤ 5	7.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of methane;1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine;6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;molecular hydrogen?

The IUPAC name of methane;1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine;6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;molecular hydrogen (CID 160775758) is methane;1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine;6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;molecular hydrogen.

What is the SMILES notation for methane;1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine;6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;molecular hydrogen?

The canonical SMILES for methane;1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine;6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;molecular hydrogen is C.C.C.CN1C2CCC1CC2.CN1CC2CCC1CC2.CN1CCC2CCNC2C1.CN1CCCC2CCCC21.[H][H].

What is the InChIKey of methane;1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine;6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;molecular hydrogen?

The InChIKey is RZXOCHBJJDNQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.C8H16N2.C8H15N.C7H13N.3CH4.H2/c1-10-7-3-5-8-4-2-6-9(8)10;1-10-5-3-7-2-4-9-8(7)6-10;1-9-6-7-2-4-8(9)5-3-7;1-8-6-2-3-7(8)5-4-6;;;;/h8-9H,2-7H2,1H3;7-9H,2-6H2,1H3;7-8H,2-6H2,1H3;6-7H,2-5H2,1H3;3*1H4;1H.

What are the key properties of methane;1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine;6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;molecular hydrogen?

methane;1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine;6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;molecular hydrogen has a molecular weight of 566.02 g/mol, XLogP of 7.07, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for methane;1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine;6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;molecular hydrogen is sourced from PubChem (CID 160775758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).