bis(1,1-dimethylcyclopentane);(2S)-1,2-dimethylpiperidine;(2R)-1,2-dimethylpiperidine;(3S)-1,3-dimethylpiperidine;(3R)-1,3-dimethylpiperidine;(2R)-1,2-dimethylpyrrolidine;(2S)-1,2-dimethylpyrrolidine;(2R)-2-methyl-1-azabicyclo[2.2.1]heptane;(2S)-2-methyl-1-azabicyclo[2.2.1]heptane;(7R)-7-methyl-1-azabicyclo[2.2.1]heptane;(7S)-7-methyl-1-azabicyclo[2.2.1]heptane;(2S)-2-methyl-1-azabicyclo[3.2.2]nonane;(2R)-2-methyl-1-azabicyclo[3.2.2]nonane;(2R)-2-methyl-1-azabicyclo[2.2.2]octane;(2S)-2-methyl-1-azabicyclo[2.2.2]octane;tetrakis(methylcyclohexane);(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;bis(1,2,2-trimethylpyrrolidine)

C174H350N18 — CID 167692624

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

bis(1,1-dimethylcyclopentane);(2S)-1,2-dimethylpiperidine;(2R)-1,2-dimethylpiperidine;(3S)-1,3-dimethylpiperidine;(3R)-1,3-dimethylpiperidine;(2R)-1,2-dimethylpyrrolidine;(2S)-1,2-dimethylpyrrolidine;(2R)-2-methyl-1-azabicyclo[2.2.1]heptane;(2S)-2-methyl-1-azabicyclo[2.2.1]heptane;(7R)-7-methyl-1-azabicyclo[2.2.1]heptane;(7S)-7-methyl-1-azabicyclo[2.2.1]heptane;(2S)-2-methyl-1-azabicyclo[3.2.2]nonane;(2R)-2-methyl-1-azabicyclo[3.2.2]nonane;(2R)-2-methyl-1-azabicyclo[2.2.2]octane;(2S)-2-methyl-1-azabicyclo[2.2.2]octane;tetrakis(methylcyclohexane);(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;bis(1,2,2-trimethylpyrrolidine) (PubChem CID 167692624) has the molecular formula C174H350N18 and a molecular weight of 2694.84 g/mol. Its IUPAC name is bis(1,1-dimethylcyclopentane);(2S)-1,2-dimethylpiperidine;(2R)-1,2-dimethylpiperidine;(3S)-1,3-dimethylpiperidine;(3R)-1,3-dimethylpiperidine;(2R)-1,2-dimethylpyrrolidine;(2S)-1,2-dimethylpyrrolidine;(2R)-2-methyl-1-azabicyclo[2.2.1]heptane;(2S)-2-methyl-1-azabicyclo[2.2.1]heptane;(7R)-7-methyl-1-azabicyclo[2.2.1]heptane;(7S)-7-methyl-1-azabicyclo[2.2.1]heptane;(2S)-2-methyl-1-azabicyclo[3.2.2]nonane;(2R)-2-methyl-1-azabicyclo[3.2.2]nonane;(2R)-2-methyl-1-azabicyclo[2.2.2]octane;(2S)-2-methyl-1-azabicyclo[2.2.2]octane;tetrakis(methylcyclohexane);(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;bis(1,2,2-trimethylpyrrolidine).

Molecular Properties

• Compound Name: bis(1,1-dimethylcyclopentane);(2S)-1,2-dimethylpiperidine;(2R)-1,2-dimethylpiperidine;(3S)-1,3-dimethylpiperidine;(3R)-1,3-dimethylpiperidine;(2R)-1,2-dimethylpyrrolidine;(2S)-1,2-dimethylpyrrolidine;(2R)-2-methyl-1-azabicyclo[2.2.1]heptane;(2S)-2-methyl-1-azabicyclo[2.2.1]heptane;(7R)-7-methyl-1-azabicyclo[2.2.1]heptane;(7S)-7-methyl-1-azabicyclo[2.2.1]heptane;(2S)-2-methyl-1-azabicyclo[3.2.2]nonane;(2R)-2-methyl-1-azabicyclo[3.2.2]nonane;(2R)-2-methyl-1-azabicyclo[2.2.2]octane;(2S)-2-methyl-1-azabicyclo[2.2.2]octane;tetrakis(methylcyclohexane);(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;bis(1,2,2-trimethylpyrrolidine)
• PubChem CID: 167692624
• Molecular Formula: C174H350N18
• Molecular Weight: 2694.84 g/mol
• Exact Mass: 2692.79
• IUPAC Name: bis(1,1-dimethylcyclopentane);(2S)-1,2-dimethylpiperidine;(2R)-1,2-dimethylpiperidine;(3S)-1,3-dimethylpiperidine;(3R)-1,3-dimethylpiperidine;(2R)-1,2-dimethylpyrrolidine;(2S)-1,2-dimethylpyrrolidine;(2R)-2-methyl-1-azabicyclo[2.2.1]heptane;(2S)-2-methyl-1-azabicyclo[2.2.1]heptane;(7R)-7-methyl-1-azabicyclo[2.2.1]heptane;(7S)-7-methyl-1-azabicyclo[2.2.1]heptane;(2S)-2-methyl-1-azabicyclo[3.2.2]nonane;(2R)-2-methyl-1-azabicyclo[3.2.2]nonane;(2R)-2-methyl-1-azabicyclo[2.2.2]octane;(2S)-2-methyl-1-azabicyclo[2.2.2]octane;tetrakis(methylcyclohexane);(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;bis(1,2,2-trimethylpyrrolidine)
• SMILES: CC(C)N1CCC[C@@H]1C.CC(C)N1CCC[C@H]1C.CC1(C)CCCC1.CC1(C)CCCC1.CC1CCCCC1.CC1CCCCC1.CC1CCCCC1.CC1CCCCC1.CN1CCCC1(C)C.CN1CCCC1(C)C.C[C@@H]1C2CCN1CC2.C[C@@H]1CC2CCN1C2.C[C@@H]1CC2CCN1CC2.C[C@@H]1CCC2CCN1CC2.C[C@@H]1CCCCN1C.C[C@@H]1CCCN(C)C1.C[C@@H]1CCCN1C.C[C@H]1C2CCN1CC2.C[C@H]1CC2CCN1C2.C[C@H]1CC2CCN1CC2.C[C@H]1CCC2CCN1CC2.C[C@H]1CCCCN1C.C[C@H]1CCCN(C)C1.C[C@H]1CCCN1C
• InChI: InChI=1S/2C9H17N.2C8H15N.2C8H17N.4C7H13N.6C7H15N.6C7H14.2C6H13N/c2*1-8-2-3-9-4-6-10(8)7-5-9;2*1-7-6-8-2-4-9(7)5-3-8;2*1-7(2)9-6-4-5-8(9)3;2*1-6-7-2-4-8(6)5-3-7;2*1-6-4-7-2-3-8(6)5-7;2*1-7(2)5-4-6-8(7)3;2*1-7-4-3-5-8(2)6-7;2*1-7-5-3-4-6-8(7)2;2*1-7(2)5-3-4-6-7;4*1-7-5-3-2-4-6-7;2*1-6-4-3-5-7(6)2/h2*8-9H,2-7H2,1H3;2*7-8H,2-6H2,1H3;2*7-8H,4-6H2,1-3H3;4*6-7H,2-5H2,1H3;2*4-6H2,1-3H3;4*7H,3-6H2,1-2H3;2*3-6H2,1-2H3;4*7H,2-6H2,1H3;2*6H,3-5H2,1-2H3/t2*8-;2*7-;2*8-;2*6-;2*6-,7?;;;4*7-;;;;;;;2*6-/m1010101010..1010......10/s1
• InChIKey: XEGLDQFVUQFSGW-STOKUXBWSA-N
• XLogP: 41.28
• TPSA: 58.32 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 2
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2694.84
LogP ≤ 5	41.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

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

The IUPAC name of bis(1,1-dimethylcyclopentane);(2S)-1,2-dimethylpiperidine;(2R)-1,2-dimethylpiperidine;(3S)-1,3-dimethylpiperidine;(3R)-1,3-dimethylpiperidine;(2R)-1,2-dimethylpyrrolidine;(2S)-1,2-dimethylpyrrolidine;(2R)-2-methyl-1-azabicyclo[2.2.1]heptane;(2S)-2-methyl-1-azabicyclo[2.2.1]heptane;(7R)-7-methyl-1-azabicyclo[2.2.1]heptane;(7S)-7-methyl-1-azabicyclo[2.2.1]heptane;(2S)-2-methyl-1-azabicyclo[3.2.2]nonane;(2R)-2-methyl-1-azabicyclo[3.2.2]nonane;(2R)-2-methyl-1-azabicyclo[2.2.2]octane;(2S)-2-methyl-1-azabicyclo[2.2.2]octane;tetrakis(methylcyclohexane);(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;bis(1,2,2-trimethylpyrrolidine) (CID 167692624) is bis(1,1-dimethylcyclopentane);(2S)-1,2-dimethylpiperidine;(2R)-1,2-dimethylpiperidine;(3S)-1,3-dimethylpiperidine;(3R)-1,3-dimethylpiperidine;(2R)-1,2-dimethylpyrrolidine;(2S)-1,2-dimethylpyrrolidine;(2R)-2-methyl-1-azabicyclo[2.2.1]heptane;(2S)-2-methyl-1-azabicyclo[2.2.1]heptane;(7R)-7-methyl-1-azabicyclo[2.2.1]heptane;(7S)-7-methyl-1-azabicyclo[2.2.1]heptane;(2S)-2-methyl-1-azabicyclo[3.2.2]nonane;(2R)-2-methyl-1-azabicyclo[3.2.2]nonane;(2R)-2-methyl-1-azabicyclo[2.2.2]octane;(2S)-2-methyl-1-azabicyclo[2.2.2]octane;tetrakis(methylcyclohexane);(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;bis(1,2,2-trimethylpyrrolidine).

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

The canonical SMILES for bis(1,1-dimethylcyclopentane);(2S)-1,2-dimethylpiperidine;(2R)-1,2-dimethylpiperidine;(3S)-1,3-dimethylpiperidine;(3R)-1,3-dimethylpiperidine;(2R)-1,2-dimethylpyrrolidine;(2S)-1,2-dimethylpyrrolidine;(2R)-2-methyl-1-azabicyclo[2.2.1]heptane;(2S)-2-methyl-1-azabicyclo[2.2.1]heptane;(7R)-7-methyl-1-azabicyclo[2.2.1]heptane;(7S)-7-methyl-1-azabicyclo[2.2.1]heptane;(2S)-2-methyl-1-azabicyclo[3.2.2]nonane;(2R)-2-methyl-1-azabicyclo[3.2.2]nonane;(2R)-2-methyl-1-azabicyclo[2.2.2]octane;(2S)-2-methyl-1-azabicyclo[2.2.2]octane;tetrakis(methylcyclohexane);(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;bis(1,2,2-trimethylpyrrolidine) is CC(C)N1CCC[C@@H]1C.CC(C)N1CCC[C@H]1C.CC1(C)CCCC1.CC1(C)CCCC1.CC1CCCCC1.CC1CCCCC1.CC1CCCCC1.CC1CCCCC1.CN1CCCC1(C)C.CN1CCCC1(C)C.C[C@@H]1C2CCN1CC2.C[C@@H]1CC2CCN1C2.C[C@@H]1CC2CCN1CC2.C[C@@H]1CCC2CCN1CC2.C[C@@H]1CCCCN1C.C[C@@H]1CCCN(C)C1.C[C@@H]1CCCN1C.C[C@H]1C2CCN1CC2.C[C@H]1CC2CCN1C2.C[C@H]1CC2CCN1CC2.C[C@H]1CCC2CCN1CC2.C[C@H]1CCCCN1C.C[C@H]1CCCN(C)C1.C[C@H]1CCCN1C.

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

The InChIKey is XEGLDQFVUQFSGW-STOKUXBWSA-N. The full InChI is InChI=1S/2C9H17N.2C8H15N.2C8H17N.4C7H13N.6C7H15N.6C7H14.2C6H13N/c2*1-8-2-3-9-4-6-10(8)7-5-9;2*1-7-6-8-2-4-9(7)5-3-8;2*1-7(2)9-6-4-5-8(9)3;2*1-6-7-2-4-8(6)5-3-7;2*1-6-4-7-2-3-8(6)5-7;2*1-7(2)5-4-6-8(7)3;2*1-7-4-3-5-8(2)6-7;2*1-7-5-3-4-6-8(7)2;2*1-7(2)5-3-4-6-7;4*1-7-5-3-2-4-6-7;2*1-6-4-3-5-7(6)2/h2*8-9H,2-7H2,1H3;2*7-8H,2-6H2,1H3;2*7-8H,4-6H2,1-3H3;4*6-7H,2-5H2,1H3;2*4-6H2,1-3H3;4*7H,3-6H2,1-2H3;2*3-6H2,1-2H3;4*7H,2-6H2,1H3;2*6H,3-5H2,1-2H3/t2*8-;2*7-;2*8-;2*6-;2*6-,7?;;;4*7-;;;;;;;2*6-/m1010101010..1010......10/s1.

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

bis(1,1-dimethylcyclopentane);(2S)-1,2-dimethylpiperidine;(2R)-1,2-dimethylpiperidine;(3S)-1,3-dimethylpiperidine;(3R)-1,3-dimethylpiperidine;(2R)-1,2-dimethylpyrrolidine;(2S)-1,2-dimethylpyrrolidine;(2R)-2-methyl-1-azabicyclo[2.2.1]heptane;(2S)-2-methyl-1-azabicyclo[2.2.1]heptane;(7R)-7-methyl-1-azabicyclo[2.2.1]heptane;(7S)-7-methyl-1-azabicyclo[2.2.1]heptane;(2S)-2-methyl-1-azabicyclo[3.2.2]nonane;(2R)-2-methyl-1-azabicyclo[3.2.2]nonane;(2R)-2-methyl-1-azabicyclo[2.2.2]octane;(2S)-2-methyl-1-azabicyclo[2.2.2]octane;tetrakis(methylcyclohexane);(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;bis(1,2,2-trimethylpyrrolidine) has a molecular weight of 2694.84 g/mol, XLogP of 41.28, 2 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1,1-dimethylcyclopentane);(2S)-1,2-dimethylpiperidine;(2R)-1,2-dimethylpiperidine;(3S)-1,3-dimethylpiperidine;(3R)-1,3-dimethylpiperidine;(2R)-1,2-dimethylpyrrolidine;(2S)-1,2-dimethylpyrrolidine;(2R)-2-methyl-1-azabicyclo[2.2.1]heptane;(2S)-2-methyl-1-azabicyclo[2.2.1]heptane;(7R)-7-methyl-1-azabicyclo[2.2.1]heptane;(7S)-7-methyl-1-azabicyclo[2.2.1]heptane;(2S)-2-methyl-1-azabicyclo[3.2.2]nonane;(2R)-2-methyl-1-azabicyclo[3.2.2]nonane;(2R)-2-methyl-1-azabicyclo[2.2.2]octane;(2S)-2-methyl-1-azabicyclo[2.2.2]octane;tetrakis(methylcyclohexane);(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;bis(1,2,2-trimethylpyrrolidine) is sourced from PubChem (CID 167692624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).