6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;3-methyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;1-methyl-4-propan-2-ylpiperazine;1-methyl-3-propan-2-ylpyrrolidine

C35H73N7 — CID 163476945

About 6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;3-methyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;1-methyl-4-propan-2-ylpiperazine;1-methyl-3-propan-2-ylpyrrolidine

6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;3-methyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;1-methyl-4-propan-2-ylpiperazine;1-methyl-3-propan-2-ylpyrrolidine (PubChem CID 163476945) has the molecular formula C35H73N7 and a molecular weight of 592.02 g/mol. Its IUPAC name is 6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;3-methyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;1-methyl-4-propan-2-ylpiperazine;1-methyl-3-propan-2-ylpyrrolidine.

Molecular Properties

• Compound Name: 6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;3-methyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;1-methyl-4-propan-2-ylpiperazine;1-methyl-3-propan-2-ylpyrrolidine
• PubChem CID: 163476945
• Molecular Formula: C35H73N7
• Molecular Weight: 592.02 g/mol
• Exact Mass: 591.59
• IUPAC Name: 6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;3-methyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;1-methyl-4-propan-2-ylpiperazine;1-methyl-3-propan-2-ylpyrrolidine
• SMILES: CC(C)C1CCN(C)C1.CC(C)N1C2CCC1CN(C)C2.CC(C)N1CC2CC(C1)N2C.CC(C)N1CCN(C)CC1
• InChI: InChI=1S/C10H20N2.C9H18N2.C8H18N2.C8H17N/c1-8(2)12-9-4-5-10(12)7-11(3)6-9;1-7(2)11-5-8-4-9(6-11)10(8)3;1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-4-5-9(3)6-8/h8-10H,4-7H2,1-3H3;7-9H,4-6H2,1-3H3;8H,4-7H2,1-3H3;7-8H,4-6H2,1-3H3
• InChIKey: CBGFKTOGYQKKMG-UHFFFAOYSA-N
• XLogP: 4.19
• TPSA: 22.68 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	592.02
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;3-methyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;1-methyl-4-propan-2-ylpiperazine;1-methyl-3-propan-2-ylpyrrolidine?

The IUPAC name of 6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;3-methyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;1-methyl-4-propan-2-ylpiperazine;1-methyl-3-propan-2-ylpyrrolidine (CID 163476945) is 6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;3-methyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;1-methyl-4-propan-2-ylpiperazine;1-methyl-3-propan-2-ylpyrrolidine.

What is the SMILES notation for 6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;3-methyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;1-methyl-4-propan-2-ylpiperazine;1-methyl-3-propan-2-ylpyrrolidine?

The canonical SMILES for 6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;3-methyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;1-methyl-4-propan-2-ylpiperazine;1-methyl-3-propan-2-ylpyrrolidine is CC(C)C1CCN(C)C1.CC(C)N1C2CCC1CN(C)C2.CC(C)N1CC2CC(C1)N2C.CC(C)N1CCN(C)CC1.

What is the InChIKey of 6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;3-methyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;1-methyl-4-propan-2-ylpiperazine;1-methyl-3-propan-2-ylpyrrolidine?

The InChIKey is CBGFKTOGYQKKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2.C9H18N2.C8H18N2.C8H17N/c1-8(2)12-9-4-5-10(12)7-11(3)6-9;1-7(2)11-5-8-4-9(6-11)10(8)3;1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-4-5-9(3)6-8/h8-10H,4-7H2,1-3H3;7-9H,4-6H2,1-3H3;8H,4-7H2,1-3H3;7-8H,4-6H2,1-3H3.

What are the key properties of 6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;3-methyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;1-methyl-4-propan-2-ylpiperazine;1-methyl-3-propan-2-ylpyrrolidine?

6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;3-methyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;1-methyl-4-propan-2-ylpiperazine;1-methyl-3-propan-2-ylpyrrolidine has a molecular weight of 592.02 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;3-methyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;1-methyl-4-propan-2-ylpiperazine;1-methyl-3-propan-2-ylpyrrolidine is sourced from PubChem (CID 163476945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).