1,1-dimethylcyclopentane;1,2-dimethylpiperidine;bis(1,4-dimethylpiperidine);(3S)-1,3-dimethylpiperidine;(2S)-1,2-dimethylpyrrolidine;(7S)-7-methyl-1-azabicyclo[2.2.1]heptane;(2S)-2-methyl-1-azabicyclo[3.2.2]nonane;(2S)-2-methyl-1-azabicyclo[2.2.2]octane;methylcyclopentane;2-methylpiperidine;(3S)-3-methylpiperidine;(2S)-2-methyl-1-propan-2-ylpyrrolidine;bis(1,4,4-trimethylpiperidine);1,2,2-trimethylpyrrolidine

C114H236N14 — CID 167697496

About 1,1-dimethylcyclopentane;1,2-dimethylpiperidine;bis(1,4-dimethylpiperidine);(3S)-1,3-dimethylpiperidine;(2S)-1,2-dimethylpyrrolidine;(7S)-7-methyl-1-azabicyclo[2.2.1]heptane;(2S)-2-methyl-1-azabicyclo[3.2.2]nonane;(2S)-2-methyl-1-azabicyclo[2.2.2]octane;methylcyclopentane;2-methylpiperidine;(3S)-3-methylpiperidine;(2S)-2-methyl-1-propan-2-ylpyrrolidine;bis(1,4,4-trimethylpiperidine);1,2,2-trimethylpyrrolidine

1,1-dimethylcyclopentane;1,2-dimethylpiperidine;bis(1,4-dimethylpiperidine);(3S)-1,3-dimethylpiperidine;(2S)-1,2-dimethylpyrrolidine;(7S)-7-methyl-1-azabicyclo[2.2.1]heptane;(2S)-2-methyl-1-azabicyclo[3.2.2]nonane;(2S)-2-methyl-1-azabicyclo[2.2.2]octane;methylcyclopentane;2-methylpiperidine;(3S)-3-methylpiperidine;(2S)-2-methyl-1-propan-2-ylpyrrolidine;bis(1,4,4-trimethylpiperidine);1,2,2-trimethylpyrrolidine (PubChem CID 167697496) has the molecular formula C114H236N14 and a molecular weight of 1803.24 g/mol. Its IUPAC name is 1,1-dimethylcyclopentane;1,2-dimethylpiperidine;bis(1,4-dimethylpiperidine);(3S)-1,3-dimethylpiperidine;(2S)-1,2-dimethylpyrrolidine;(7S)-7-methyl-1-azabicyclo[2.2.1]heptane;(2S)-2-methyl-1-azabicyclo[3.2.2]nonane;(2S)-2-methyl-1-azabicyclo[2.2.2]octane;methylcyclopentane;2-methylpiperidine;(3S)-3-methylpiperidine;(2S)-2-methyl-1-propan-2-ylpyrrolidine;bis(1,4,4-trimethylpiperidine);1,2,2-trimethylpyrrolidine.

Molecular Properties

• Compound Name: 1,1-dimethylcyclopentane;1,2-dimethylpiperidine;bis(1,4-dimethylpiperidine);(3S)-1,3-dimethylpiperidine;(2S)-1,2-dimethylpyrrolidine;(7S)-7-methyl-1-azabicyclo[2.2.1]heptane;(2S)-2-methyl-1-azabicyclo[3.2.2]nonane;(2S)-2-methyl-1-azabicyclo[2.2.2]octane;methylcyclopentane;2-methylpiperidine;(3S)-3-methylpiperidine;(2S)-2-methyl-1-propan-2-ylpyrrolidine;bis(1,4,4-trimethylpiperidine);1,2,2-trimethylpyrrolidine
• PubChem CID: 167697496
• Molecular Formula: C114H236N14
• Molecular Weight: 1803.24 g/mol
• Exact Mass: 1801.89
• IUPAC Name: 1,1-dimethylcyclopentane;1,2-dimethylpiperidine;bis(1,4-dimethylpiperidine);(3S)-1,3-dimethylpiperidine;(2S)-1,2-dimethylpyrrolidine;(7S)-7-methyl-1-azabicyclo[2.2.1]heptane;(2S)-2-methyl-1-azabicyclo[3.2.2]nonane;(2S)-2-methyl-1-azabicyclo[2.2.2]octane;methylcyclopentane;2-methylpiperidine;(3S)-3-methylpiperidine;(2S)-2-methyl-1-propan-2-ylpyrrolidine;bis(1,4,4-trimethylpiperidine);1,2,2-trimethylpyrrolidine
• SMILES: CC(C)N1CCC[C@@H]1C.CC1(C)CCCC1.CC1CCCC1.CC1CCCCN1.CC1CCCCN1C.CC1CCN(C)CC1.CC1CCN(C)CC1.CN1CCC(C)(C)CC1.CN1CCC(C)(C)CC1.CN1CCCC1(C)C.C[C@H]1C2CCN1CC2.C[C@H]1CC2CCN1CC2.C[C@H]1CCC2CCN1CC2.C[C@H]1CCCN(C)C1.C[C@H]1CCCN1C.C[C@H]1CCCNC1
• InChI: InChI=1S/C9H17N.C8H15N.3C8H17N.C7H13N.5C7H15N.C7H14.3C6H13N.C6H12/c1-8-2-3-9-4-6-10(8)7-5-9;1-7-6-8-2-4-9(7)5-3-8;2*1-8(2)4-6-9(3)7-5-8;1-7(2)9-6-4-5-8(9)3;1-6-7-2-4-8(6)5-3-7;1-7(2)5-4-6-8(7)3;2*1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2;1-7(2)5-3-4-6-7;1-6-4-3-5-7(6)2;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-6-4-2-3-5-6/h8-9H,2-7H2,1H3;7-8H,2-6H2,1H3;2*4-7H2,1-3H3;7-8H,4-6H2,1-3H3;6-7H,2-5H2,1H3;4-6H2,1-3H3;4*7H,3-6H2,1-2H3;3-6H2,1-2H3;6H,3-5H2,1-2H3;2*6-7H,2-5H2,1H3;6H,2-5H2,1H3/t8-;7-;;;8-;6-;;;;7-;;;2*6-;;/m00..00...0..00../s1
• InChIKey: XWNOLOVUVQUVHW-LCXBNNMASA-N
• XLogP: 24.89
• TPSA: 62.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 1
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1803.24
LogP ≤ 5	24.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethylcyclopentane;1,2-dimethylpiperidine;bis(1,4-dimethylpiperidine);(3S)-1,3-dimethylpiperidine;(2S)-1,2-dimethylpyrrolidine;(7S)-7-methyl-1-azabicyclo[2.2.1]heptane;(2S)-2-methyl-1-azabicyclo[3.2.2]nonane;(2S)-2-methyl-1-azabicyclo[2.2.2]octane;methylcyclopentane;2-methylpiperidine;(3S)-3-methylpiperidine;(2S)-2-methyl-1-propan-2-ylpyrrolidine;bis(1,4,4-trimethylpiperidine);1,2,2-trimethylpyrrolidine?

The IUPAC name of 1,1-dimethylcyclopentane;1,2-dimethylpiperidine;bis(1,4-dimethylpiperidine);(3S)-1,3-dimethylpiperidine;(2S)-1,2-dimethylpyrrolidine;(7S)-7-methyl-1-azabicyclo[2.2.1]heptane;(2S)-2-methyl-1-azabicyclo[3.2.2]nonane;(2S)-2-methyl-1-azabicyclo[2.2.2]octane;methylcyclopentane;2-methylpiperidine;(3S)-3-methylpiperidine;(2S)-2-methyl-1-propan-2-ylpyrrolidine;bis(1,4,4-trimethylpiperidine);1,2,2-trimethylpyrrolidine (CID 167697496) is 1,1-dimethylcyclopentane;1,2-dimethylpiperidine;bis(1,4-dimethylpiperidine);(3S)-1,3-dimethylpiperidine;(2S)-1,2-dimethylpyrrolidine;(7S)-7-methyl-1-azabicyclo[2.2.1]heptane;(2S)-2-methyl-1-azabicyclo[3.2.2]nonane;(2S)-2-methyl-1-azabicyclo[2.2.2]octane;methylcyclopentane;2-methylpiperidine;(3S)-3-methylpiperidine;(2S)-2-methyl-1-propan-2-ylpyrrolidine;bis(1,4,4-trimethylpiperidine);1,2,2-trimethylpyrrolidine.

What is the SMILES notation for 1,1-dimethylcyclopentane;1,2-dimethylpiperidine;bis(1,4-dimethylpiperidine);(3S)-1,3-dimethylpiperidine;(2S)-1,2-dimethylpyrrolidine;(7S)-7-methyl-1-azabicyclo[2.2.1]heptane;(2S)-2-methyl-1-azabicyclo[3.2.2]nonane;(2S)-2-methyl-1-azabicyclo[2.2.2]octane;methylcyclopentane;2-methylpiperidine;(3S)-3-methylpiperidine;(2S)-2-methyl-1-propan-2-ylpyrrolidine;bis(1,4,4-trimethylpiperidine);1,2,2-trimethylpyrrolidine?

The canonical SMILES for 1,1-dimethylcyclopentane;1,2-dimethylpiperidine;bis(1,4-dimethylpiperidine);(3S)-1,3-dimethylpiperidine;(2S)-1,2-dimethylpyrrolidine;(7S)-7-methyl-1-azabicyclo[2.2.1]heptane;(2S)-2-methyl-1-azabicyclo[3.2.2]nonane;(2S)-2-methyl-1-azabicyclo[2.2.2]octane;methylcyclopentane;2-methylpiperidine;(3S)-3-methylpiperidine;(2S)-2-methyl-1-propan-2-ylpyrrolidine;bis(1,4,4-trimethylpiperidine);1,2,2-trimethylpyrrolidine is CC(C)N1CCC[C@@H]1C.CC1(C)CCCC1.CC1CCCC1.CC1CCCCN1.CC1CCCCN1C.CC1CCN(C)CC1.CC1CCN(C)CC1.CN1CCC(C)(C)CC1.CN1CCC(C)(C)CC1.CN1CCCC1(C)C.C[C@H]1C2CCN1CC2.C[C@H]1CC2CCN1CC2.C[C@H]1CCC2CCN1CC2.C[C@H]1CCCN(C)C1.C[C@H]1CCCN1C.C[C@H]1CCCNC1.

What is the InChIKey of 1,1-dimethylcyclopentane;1,2-dimethylpiperidine;bis(1,4-dimethylpiperidine);(3S)-1,3-dimethylpiperidine;(2S)-1,2-dimethylpyrrolidine;(7S)-7-methyl-1-azabicyclo[2.2.1]heptane;(2S)-2-methyl-1-azabicyclo[3.2.2]nonane;(2S)-2-methyl-1-azabicyclo[2.2.2]octane;methylcyclopentane;2-methylpiperidine;(3S)-3-methylpiperidine;(2S)-2-methyl-1-propan-2-ylpyrrolidine;bis(1,4,4-trimethylpiperidine);1,2,2-trimethylpyrrolidine?

The InChIKey is XWNOLOVUVQUVHW-LCXBNNMASA-N. The full InChI is InChI=1S/C9H17N.C8H15N.3C8H17N.C7H13N.5C7H15N.C7H14.3C6H13N.C6H12/c1-8-2-3-9-4-6-10(8)7-5-9;1-7-6-8-2-4-9(7)5-3-8;2*1-8(2)4-6-9(3)7-5-8;1-7(2)9-6-4-5-8(9)3;1-6-7-2-4-8(6)5-3-7;1-7(2)5-4-6-8(7)3;2*1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2;1-7(2)5-3-4-6-7;1-6-4-3-5-7(6)2;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-6-4-2-3-5-6/h8-9H,2-7H2,1H3;7-8H,2-6H2,1H3;2*4-7H2,1-3H3;7-8H,4-6H2,1-3H3;6-7H,2-5H2,1H3;4-6H2,1-3H3;4*7H,3-6H2,1-2H3;3-6H2,1-2H3;6H,3-5H2,1-2H3;2*6-7H,2-5H2,1H3;6H,2-5H2,1H3/t8-;7-;;;8-;6-;;;;7-;;;2*6-;;/m00..00...0..00../s1.

What are the key properties of 1,1-dimethylcyclopentane;1,2-dimethylpiperidine;bis(1,4-dimethylpiperidine);(3S)-1,3-dimethylpiperidine;(2S)-1,2-dimethylpyrrolidine;(7S)-7-methyl-1-azabicyclo[2.2.1]heptane;(2S)-2-methyl-1-azabicyclo[3.2.2]nonane;(2S)-2-methyl-1-azabicyclo[2.2.2]octane;methylcyclopentane;2-methylpiperidine;(3S)-3-methylpiperidine;(2S)-2-methyl-1-propan-2-ylpyrrolidine;bis(1,4,4-trimethylpiperidine);1,2,2-trimethylpyrrolidine?

1,1-dimethylcyclopentane;1,2-dimethylpiperidine;bis(1,4-dimethylpiperidine);(3S)-1,3-dimethylpiperidine;(2S)-1,2-dimethylpyrrolidine;(7S)-7-methyl-1-azabicyclo[2.2.1]heptane;(2S)-2-methyl-1-azabicyclo[3.2.2]nonane;(2S)-2-methyl-1-azabicyclo[2.2.2]octane;methylcyclopentane;2-methylpiperidine;(3S)-3-methylpiperidine;(2S)-2-methyl-1-propan-2-ylpyrrolidine;bis(1,4,4-trimethylpiperidine);1,2,2-trimethylpyrrolidine has a molecular weight of 1803.24 g/mol, XLogP of 24.89, 1 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1-dimethylcyclopentane;1,2-dimethylpiperidine;bis(1,4-dimethylpiperidine);(3S)-1,3-dimethylpiperidine;(2S)-1,2-dimethylpyrrolidine;(7S)-7-methyl-1-azabicyclo[2.2.1]heptane;(2S)-2-methyl-1-azabicyclo[3.2.2]nonane;(2S)-2-methyl-1-azabicyclo[2.2.2]octane;methylcyclopentane;2-methylpiperidine;(3S)-3-methylpiperidine;(2S)-2-methyl-1-propan-2-ylpyrrolidine;bis(1,4,4-trimethylpiperidine);1,2,2-trimethylpyrrolidine is sourced from PubChem (CID 167697496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).