1-(2,2-dimethylpropyl)-N,N-dimethylpiperidin-4-amine;2-(2,2-dimethylpropyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;7-(2,2-dimethylpropyl)-2-methyl-2,7-diazaspiro[3.5]nonane;1-(2,2-dimethylpropyl)-4-methylpiperazine

C46H96N8 — CID 159885663

About 1-(2,2-dimethylpropyl)-N,N-dimethylpiperidin-4-amine;2-(2,2-dimethylpropyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;7-(2,2-dimethylpropyl)-2-methyl-2,7-diazaspiro[3.5]nonane;1-(2,2-dimethylpropyl)-4-methylpiperazine

1-(2,2-dimethylpropyl)-N,N-dimethylpiperidin-4-amine;2-(2,2-dimethylpropyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;7-(2,2-dimethylpropyl)-2-methyl-2,7-diazaspiro[3.5]nonane;1-(2,2-dimethylpropyl)-4-methylpiperazine (PubChem CID 159885663) has the molecular formula C46H96N8 and a molecular weight of 761.33 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-N,N-dimethylpiperidin-4-amine;2-(2,2-dimethylpropyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;7-(2,2-dimethylpropyl)-2-methyl-2,7-diazaspiro[3.5]nonane;1-(2,2-dimethylpropyl)-4-methylpiperazine.

Molecular Properties

• Compound Name: 1-(2,2-dimethylpropyl)-N,N-dimethylpiperidin-4-amine;2-(2,2-dimethylpropyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;7-(2,2-dimethylpropyl)-2-methyl-2,7-diazaspiro[3.5]nonane;1-(2,2-dimethylpropyl)-4-methylpiperazine
• PubChem CID: 159885663
• Molecular Formula: C46H96N8
• Molecular Weight: 761.33 g/mol
• Exact Mass: 760.78
• IUPAC Name: 1-(2,2-dimethylpropyl)-N,N-dimethylpiperidin-4-amine;2-(2,2-dimethylpropyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;7-(2,2-dimethylpropyl)-2-methyl-2,7-diazaspiro[3.5]nonane;1-(2,2-dimethylpropyl)-4-methylpiperazine
• SMILES: CN(C)C1CCN(CC(C)(C)C)CC1.CN1CC2(CCN(CC(C)(C)C)CC2)C1.CN1CC2CC1CN2CC(C)(C)C.CN1CCN(CC(C)(C)C)CC1
• InChI: InChI=1S/C13H26N2.C12H26N2.C11H22N2.C10H22N2/c1-12(2,3)9-15-7-5-13(6-8-15)10-14(4)11-13;1-12(2,3)10-14-8-6-11(7-9-14)13(4)5;1-11(2,3)8-13-7-9-5-10(13)6-12(9)4;1-10(2,3)9-12-7-5-11(4)6-8-12/h5-11H2,1-4H3;11H,6-10H2,1-5H3;9-10H,5-8H2,1-4H3;5-9H2,1-4H3
• InChIKey: NUCGOUXAAWNPAP-UHFFFAOYSA-N
• XLogP: 6.82
• TPSA: 25.92 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	761.33
LogP ≤ 5	6.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-N,N-dimethylpiperidin-4-amine;2-(2,2-dimethylpropyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;7-(2,2-dimethylpropyl)-2-methyl-2,7-diazaspiro[3.5]nonane;1-(2,2-dimethylpropyl)-4-methylpiperazine?

The IUPAC name of 1-(2,2-dimethylpropyl)-N,N-dimethylpiperidin-4-amine;2-(2,2-dimethylpropyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;7-(2,2-dimethylpropyl)-2-methyl-2,7-diazaspiro[3.5]nonane;1-(2,2-dimethylpropyl)-4-methylpiperazine (CID 159885663) is 1-(2,2-dimethylpropyl)-N,N-dimethylpiperidin-4-amine;2-(2,2-dimethylpropyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;7-(2,2-dimethylpropyl)-2-methyl-2,7-diazaspiro[3.5]nonane;1-(2,2-dimethylpropyl)-4-methylpiperazine.

What is the SMILES notation for 1-(2,2-dimethylpropyl)-N,N-dimethylpiperidin-4-amine;2-(2,2-dimethylpropyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;7-(2,2-dimethylpropyl)-2-methyl-2,7-diazaspiro[3.5]nonane;1-(2,2-dimethylpropyl)-4-methylpiperazine?

The canonical SMILES for 1-(2,2-dimethylpropyl)-N,N-dimethylpiperidin-4-amine;2-(2,2-dimethylpropyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;7-(2,2-dimethylpropyl)-2-methyl-2,7-diazaspiro[3.5]nonane;1-(2,2-dimethylpropyl)-4-methylpiperazine is CN(C)C1CCN(CC(C)(C)C)CC1.CN1CC2(CCN(CC(C)(C)C)CC2)C1.CN1CC2CC1CN2CC(C)(C)C.CN1CCN(CC(C)(C)C)CC1.

What is the InChIKey of 1-(2,2-dimethylpropyl)-N,N-dimethylpiperidin-4-amine;2-(2,2-dimethylpropyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;7-(2,2-dimethylpropyl)-2-methyl-2,7-diazaspiro[3.5]nonane;1-(2,2-dimethylpropyl)-4-methylpiperazine?

The InChIKey is NUCGOUXAAWNPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2.C12H26N2.C11H22N2.C10H22N2/c1-12(2,3)9-15-7-5-13(6-8-15)10-14(4)11-13;1-12(2,3)10-14-8-6-11(7-9-14)13(4)5;1-11(2,3)8-13-7-9-5-10(13)6-12(9)4;1-10(2,3)9-12-7-5-11(4)6-8-12/h5-11H2,1-4H3;11H,6-10H2,1-5H3;9-10H,5-8H2,1-4H3;5-9H2,1-4H3.

What are the key properties of 1-(2,2-dimethylpropyl)-N,N-dimethylpiperidin-4-amine;2-(2,2-dimethylpropyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;7-(2,2-dimethylpropyl)-2-methyl-2,7-diazaspiro[3.5]nonane;1-(2,2-dimethylpropyl)-4-methylpiperazine?

1-(2,2-dimethylpropyl)-N,N-dimethylpiperidin-4-amine;2-(2,2-dimethylpropyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;7-(2,2-dimethylpropyl)-2-methyl-2,7-diazaspiro[3.5]nonane;1-(2,2-dimethylpropyl)-4-methylpiperazine has a molecular weight of 761.33 g/mol, XLogP of 6.82, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,2-dimethylpropyl)-N,N-dimethylpiperidin-4-amine;2-(2,2-dimethylpropyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;7-(2,2-dimethylpropyl)-2-methyl-2,7-diazaspiro[3.5]nonane;1-(2,2-dimethylpropyl)-4-methylpiperazine is sourced from PubChem (CID 159885663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).