3,10-dimethyl-10-azabicyclo[4.3.1]decane;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;bis(3,8-dimethyl-8-azabicyclo[3.2.1]octane);1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine

C59H117N7 — CID 162171737

About 3,10-dimethyl-10-azabicyclo[4.3.1]decane;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;bis(3,8-dimethyl-8-azabicyclo[3.2.1]octane);1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine

3,10-dimethyl-10-azabicyclo[4.3.1]decane;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;bis(3,8-dimethyl-8-azabicyclo[3.2.1]octane);1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine (PubChem CID 162171737) has the molecular formula C59H117N7 and a molecular weight of 924.63 g/mol. Its IUPAC name is 3,10-dimethyl-10-azabicyclo[4.3.1]decane;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;bis(3,8-dimethyl-8-azabicyclo[3.2.1]octane);1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine.

Molecular Properties

• Compound Name: 3,10-dimethyl-10-azabicyclo[4.3.1]decane;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;bis(3,8-dimethyl-8-azabicyclo[3.2.1]octane);1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine
• PubChem CID: 162171737
• Molecular Formula: C59H117N7
• Molecular Weight: 924.63 g/mol
• Exact Mass: 923.94
• IUPAC Name: 3,10-dimethyl-10-azabicyclo[4.3.1]decane;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;bis(3,8-dimethyl-8-azabicyclo[3.2.1]octane);1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine
• SMILES: CC1CC2CCC(C1)N2C.CC1CC2CCC(C1)N2C.CC1CC2CCCC(C1)N2C.CC1CCC2CCCC(C1)N2C.CC1CCCN(C)C1.CC1CCN(C)C1.CC1CCN(C)CC1
• InChI: InChI=1S/C11H21N.C10H19N.2C9H17N.2C7H15N.C6H13N/c1-9-6-7-10-4-3-5-11(8-9)12(10)2;1-8-6-9-4-3-5-10(7-8)11(9)2;2*1-7-5-8-3-4-9(6-7)10(8)2;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-6-3-4-7(2)5-6/h9-11H,3-8H2,1-2H3;8-10H,3-7H2,1-2H3;2*7-9H,3-6H2,1-2H3;2*7H,3-6H2,1-2H3;6H,3-5H2,1-2H3
• InChIKey: ZNWQDPIVVIIHRY-UHFFFAOYSA-N
• XLogP: 12.34
• TPSA: 22.68 Ų
• H-Bond Acceptors: 7
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	924.63
LogP ≤ 5	12.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3,10-dimethyl-10-azabicyclo[4.3.1]decane;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;bis(3,8-dimethyl-8-azabicyclo[3.2.1]octane);1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine?

The IUPAC name of 3,10-dimethyl-10-azabicyclo[4.3.1]decane;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;bis(3,8-dimethyl-8-azabicyclo[3.2.1]octane);1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine (CID 162171737) is 3,10-dimethyl-10-azabicyclo[4.3.1]decane;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;bis(3,8-dimethyl-8-azabicyclo[3.2.1]octane);1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine.

What is the SMILES notation for 3,10-dimethyl-10-azabicyclo[4.3.1]decane;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;bis(3,8-dimethyl-8-azabicyclo[3.2.1]octane);1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine?

The canonical SMILES for 3,10-dimethyl-10-azabicyclo[4.3.1]decane;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;bis(3,8-dimethyl-8-azabicyclo[3.2.1]octane);1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine is CC1CC2CCC(C1)N2C.CC1CC2CCC(C1)N2C.CC1CC2CCCC(C1)N2C.CC1CCC2CCCC(C1)N2C.CC1CCCN(C)C1.CC1CCN(C)C1.CC1CCN(C)CC1.

What is the InChIKey of 3,10-dimethyl-10-azabicyclo[4.3.1]decane;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;bis(3,8-dimethyl-8-azabicyclo[3.2.1]octane);1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine?

The InChIKey is ZNWQDPIVVIIHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N.C10H19N.2C9H17N.2C7H15N.C6H13N/c1-9-6-7-10-4-3-5-11(8-9)12(10)2;1-8-6-9-4-3-5-10(7-8)11(9)2;2*1-7-5-8-3-4-9(6-7)10(8)2;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-6-3-4-7(2)5-6/h9-11H,3-8H2,1-2H3;8-10H,3-7H2,1-2H3;2*7-9H,3-6H2,1-2H3;2*7H,3-6H2,1-2H3;6H,3-5H2,1-2H3.

What are the key properties of 3,10-dimethyl-10-azabicyclo[4.3.1]decane;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;bis(3,8-dimethyl-8-azabicyclo[3.2.1]octane);1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine?

3,10-dimethyl-10-azabicyclo[4.3.1]decane;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;bis(3,8-dimethyl-8-azabicyclo[3.2.1]octane);1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine has a molecular weight of 924.63 g/mol, XLogP of 12.34, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3,10-dimethyl-10-azabicyclo[4.3.1]decane;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;bis(3,8-dimethyl-8-azabicyclo[3.2.1]octane);1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine is sourced from PubChem (CID 162171737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).