2,2-dimethyl-1,4-di(propan-2-yl)piperazine;N,N-dimethyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;1,4-di(propan-2-yl)piperazine;bis(N,1-di(propan-2-yl)piperidin-3-amine);3-methyl-3-(2-methylpropyl)-1-propan-2-ylpyrrolidine

C69H149N11 — CID 159600647

About 2,2-dimethyl-1,4-di(propan-2-yl)piperazine;N,N-dimethyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;1,4-di(propan-2-yl)piperazine;bis(N,1-di(propan-2-yl)piperidin-3-amine);3-methyl-3-(2-methylpropyl)-1-propan-2-ylpyrrolidine

2,2-dimethyl-1,4-di(propan-2-yl)piperazine;N,N-dimethyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;1,4-di(propan-2-yl)piperazine;bis(N,1-di(propan-2-yl)piperidin-3-amine);3-methyl-3-(2-methylpropyl)-1-propan-2-ylpyrrolidine (PubChem CID 159600647) has the molecular formula C69H149N11 and a molecular weight of 1133.03 g/mol. Its IUPAC name is 2,2-dimethyl-1,4-di(propan-2-yl)piperazine;N,N-dimethyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;1,4-di(propan-2-yl)piperazine;bis(N,1-di(propan-2-yl)piperidin-3-amine);3-methyl-3-(2-methylpropyl)-1-propan-2-ylpyrrolidine.

Molecular Properties

• Compound Name: 2,2-dimethyl-1,4-di(propan-2-yl)piperazine;N,N-dimethyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;1,4-di(propan-2-yl)piperazine;bis(N,1-di(propan-2-yl)piperidin-3-amine);3-methyl-3-(2-methylpropyl)-1-propan-2-ylpyrrolidine
• PubChem CID: 159600647
• Molecular Formula: C69H149N11
• Molecular Weight: 1133.03 g/mol
• Exact Mass: 1132.20
• IUPAC Name: 2,2-dimethyl-1,4-di(propan-2-yl)piperazine;N,N-dimethyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;1,4-di(propan-2-yl)piperazine;bis(N,1-di(propan-2-yl)piperidin-3-amine);3-methyl-3-(2-methylpropyl)-1-propan-2-ylpyrrolidine
• SMILES: CC(C)CC1(C)CCN(C(C)C)C1.CC(C)CC1CN(C(C)C)CC1N(C)C.CC(C)N1CCN(C(C)C)C(C)(C)C1.CC(C)N1CCN(C(C)C)CC1.CC(C)NC1CCCN(C(C)C)C1.CC(C)NC1CCCN(C(C)C)C1
• InChI: InChI=1S/C13H28N2.C12H26N2.C12H25N.2C11H24N2.C10H22N2/c1-10(2)7-12-8-15(11(3)4)9-13(12)14(5)6;1-10(2)13-7-8-14(11(3)4)12(5,6)9-13;1-10(2)8-12(5)6-7-13(9-12)11(3)4;2*1-9(2)12-11-6-5-7-13(8-11)10(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4/h10-13H,7-9H2,1-6H3;10-11H,7-9H2,1-6H3;10-11H,6-9H2,1-5H3;2*9-12H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3
• InChIKey: MLKXNMRETSEMFT-UHFFFAOYSA-N
• XLogP: 12.79
• TPSA: 53.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 17
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1133.03
LogP ≤ 5	12.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1,4-di(propan-2-yl)piperazine;N,N-dimethyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;1,4-di(propan-2-yl)piperazine;bis(N,1-di(propan-2-yl)piperidin-3-amine);3-methyl-3-(2-methylpropyl)-1-propan-2-ylpyrrolidine?

The IUPAC name of 2,2-dimethyl-1,4-di(propan-2-yl)piperazine;N,N-dimethyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;1,4-di(propan-2-yl)piperazine;bis(N,1-di(propan-2-yl)piperidin-3-amine);3-methyl-3-(2-methylpropyl)-1-propan-2-ylpyrrolidine (CID 159600647) is 2,2-dimethyl-1,4-di(propan-2-yl)piperazine;N,N-dimethyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;1,4-di(propan-2-yl)piperazine;bis(N,1-di(propan-2-yl)piperidin-3-amine);3-methyl-3-(2-methylpropyl)-1-propan-2-ylpyrrolidine.

What is the SMILES notation for 2,2-dimethyl-1,4-di(propan-2-yl)piperazine;N,N-dimethyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;1,4-di(propan-2-yl)piperazine;bis(N,1-di(propan-2-yl)piperidin-3-amine);3-methyl-3-(2-methylpropyl)-1-propan-2-ylpyrrolidine?

The canonical SMILES for 2,2-dimethyl-1,4-di(propan-2-yl)piperazine;N,N-dimethyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;1,4-di(propan-2-yl)piperazine;bis(N,1-di(propan-2-yl)piperidin-3-amine);3-methyl-3-(2-methylpropyl)-1-propan-2-ylpyrrolidine is CC(C)CC1(C)CCN(C(C)C)C1.CC(C)CC1CN(C(C)C)CC1N(C)C.CC(C)N1CCN(C(C)C)C(C)(C)C1.CC(C)N1CCN(C(C)C)CC1.CC(C)NC1CCCN(C(C)C)C1.CC(C)NC1CCCN(C(C)C)C1.

What is the InChIKey of 2,2-dimethyl-1,4-di(propan-2-yl)piperazine;N,N-dimethyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;1,4-di(propan-2-yl)piperazine;bis(N,1-di(propan-2-yl)piperidin-3-amine);3-methyl-3-(2-methylpropyl)-1-propan-2-ylpyrrolidine?

The InChIKey is MLKXNMRETSEMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2.C12H26N2.C12H25N.2C11H24N2.C10H22N2/c1-10(2)7-12-8-15(11(3)4)9-13(12)14(5)6;1-10(2)13-7-8-14(11(3)4)12(5,6)9-13;1-10(2)8-12(5)6-7-13(9-12)11(3)4;2*1-9(2)12-11-6-5-7-13(8-11)10(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4/h10-13H,7-9H2,1-6H3;10-11H,7-9H2,1-6H3;10-11H,6-9H2,1-5H3;2*9-12H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3.

What are the key properties of 2,2-dimethyl-1,4-di(propan-2-yl)piperazine;N,N-dimethyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;1,4-di(propan-2-yl)piperazine;bis(N,1-di(propan-2-yl)piperidin-3-amine);3-methyl-3-(2-methylpropyl)-1-propan-2-ylpyrrolidine?

2,2-dimethyl-1,4-di(propan-2-yl)piperazine;N,N-dimethyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;1,4-di(propan-2-yl)piperazine;bis(N,1-di(propan-2-yl)piperidin-3-amine);3-methyl-3-(2-methylpropyl)-1-propan-2-ylpyrrolidine has a molecular weight of 1133.03 g/mol, XLogP of 12.79, 17 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethyl-1,4-di(propan-2-yl)piperazine;N,N-dimethyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;1,4-di(propan-2-yl)piperazine;bis(N,1-di(propan-2-yl)piperidin-3-amine);3-methyl-3-(2-methylpropyl)-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 159600647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).