methane;1-methyl-4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.2]octane;8-methyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;4-methyl-7-propan-2-yl-4,7-diazaspiro[2.5]octane;bis(1-methyl-4-propan-2-ylpiperazine);4-propan-2-yl-1,4-diazabicyclo[3.3.1]nonane

C87H198N16 — CID 159352373

About methane;1-methyl-4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.2]octane;8-methyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;4-methyl-7-propan-2-yl-4,7-diazaspiro[2.5]octane;bis(1-methyl-4-propan-2-ylpiperazine);4-propan-2-yl-1,4-diazabicyclo[3.3.1]nonane

methane;1-methyl-4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.2]octane;8-methyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;4-methyl-7-propan-2-yl-4,7-diazaspiro[2.5]octane;bis(1-methyl-4-propan-2-ylpiperazine);4-propan-2-yl-1,4-diazabicyclo[3.3.1]nonane (PubChem CID 159352373) has the molecular formula C87H198N16 and a molecular weight of 1468.65 g/mol. Its IUPAC name is methane;1-methyl-4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.2]octane;8-methyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;4-methyl-7-propan-2-yl-4,7-diazaspiro[2.5]octane;bis(1-methyl-4-propan-2-ylpiperazine);4-propan-2-yl-1,4-diazabicyclo[3.3.1]nonane.

Molecular Properties

• Compound Name: methane;1-methyl-4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.2]octane;8-methyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;4-methyl-7-propan-2-yl-4,7-diazaspiro[2.5]octane;bis(1-methyl-4-propan-2-ylpiperazine);4-propan-2-yl-1,4-diazabicyclo[3.3.1]nonane
• PubChem CID: 159352373
• Molecular Formula: C87H198N16
• Molecular Weight: 1468.65 g/mol
• Exact Mass: 1467.60
• IUPAC Name: methane;1-methyl-4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.2]octane;8-methyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;4-methyl-7-propan-2-yl-4,7-diazaspiro[2.5]octane;bis(1-methyl-4-propan-2-ylpiperazine);4-propan-2-yl-1,4-diazabicyclo[3.3.1]nonane
• SMILES: C.C.C.C.C.C.C.C.C.C.CC(C)N1CC2CC1CN2C.CC(C)N1CC2CCC(C1)N2C.CC(C)N1CC2CCC1CN2C.CC(C)N1CCN(C)C2(CC2)C1.CC(C)N1CCN(C)C2CCCCC21.CC(C)N1CCN(C)CC1.CC(C)N1CCN(C)CC1.CC(C)N1CCN2CCCC1C2
• InChI: InChI=1S/C12H24N2.4C10H20N2.C9H18N2.2C8H18N2.10CH4/c1-10(2)14-9-8-13(3)11-6-4-5-7-12(11)14;1-8(2)12-7-9-4-5-10(12)6-11(9)3;1-8(2)12-6-9-4-5-10(7-12)11(9)3;1-9(2)12-7-6-11(3)10(8-12)4-5-10;1-9(2)12-7-6-11-5-3-4-10(12)8-11;1-7(2)11-6-8-4-9(11)5-10(8)3;2*1-8(2)10-6-4-9(3)5-7-10;;;;;;;;;;/h10-12H,4-9H2,1-3H3;2*8-10H,4-7H2,1-3H3;9H,4-8H2,1-3H3;9-10H,3-8H2,1-2H3;7-9H,4-6H2,1-3H3;2*8H,4-7H2,1-3H3;10*1H4
• InChIKey: LHMIISIYCQGIQL-UHFFFAOYSA-N
• XLogP: 15.08
• TPSA: 51.84 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 8
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1468.65
LogP ≤ 5	15.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of methane;1-methyl-4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.2]octane;8-methyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;4-methyl-7-propan-2-yl-4,7-diazaspiro[2.5]octane;bis(1-methyl-4-propan-2-ylpiperazine);4-propan-2-yl-1,4-diazabicyclo[3.3.1]nonane?

The IUPAC name of methane;1-methyl-4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.2]octane;8-methyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;4-methyl-7-propan-2-yl-4,7-diazaspiro[2.5]octane;bis(1-methyl-4-propan-2-ylpiperazine);4-propan-2-yl-1,4-diazabicyclo[3.3.1]nonane (CID 159352373) is methane;1-methyl-4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.2]octane;8-methyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;4-methyl-7-propan-2-yl-4,7-diazaspiro[2.5]octane;bis(1-methyl-4-propan-2-ylpiperazine);4-propan-2-yl-1,4-diazabicyclo[3.3.1]nonane.

What is the SMILES notation for methane;1-methyl-4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.2]octane;8-methyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;4-methyl-7-propan-2-yl-4,7-diazaspiro[2.5]octane;bis(1-methyl-4-propan-2-ylpiperazine);4-propan-2-yl-1,4-diazabicyclo[3.3.1]nonane?

The canonical SMILES for methane;1-methyl-4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.2]octane;8-methyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;4-methyl-7-propan-2-yl-4,7-diazaspiro[2.5]octane;bis(1-methyl-4-propan-2-ylpiperazine);4-propan-2-yl-1,4-diazabicyclo[3.3.1]nonane is C.C.C.C.C.C.C.C.C.C.CC(C)N1CC2CC1CN2C.CC(C)N1CC2CCC(C1)N2C.CC(C)N1CC2CCC1CN2C.CC(C)N1CCN(C)C2(CC2)C1.CC(C)N1CCN(C)C2CCCCC21.CC(C)N1CCN(C)CC1.CC(C)N1CCN(C)CC1.CC(C)N1CCN2CCCC1C2.

What is the InChIKey of methane;1-methyl-4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.2]octane;8-methyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;4-methyl-7-propan-2-yl-4,7-diazaspiro[2.5]octane;bis(1-methyl-4-propan-2-ylpiperazine);4-propan-2-yl-1,4-diazabicyclo[3.3.1]nonane?

The InChIKey is LHMIISIYCQGIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2.4C10H20N2.C9H18N2.2C8H18N2.10CH4/c1-10(2)14-9-8-13(3)11-6-4-5-7-12(11)14;1-8(2)12-7-9-4-5-10(12)6-11(9)3;1-8(2)12-6-9-4-5-10(7-12)11(9)3;1-9(2)12-7-6-11(3)10(8-12)4-5-10;1-9(2)12-7-6-11-5-3-4-10(12)8-11;1-7(2)11-6-8-4-9(11)5-10(8)3;2*1-8(2)10-6-4-9(3)5-7-10;;;;;;;;;;/h10-12H,4-9H2,1-3H3;2*8-10H,4-7H2,1-3H3;9H,4-8H2,1-3H3;9-10H,3-8H2,1-2H3;7-9H,4-6H2,1-3H3;2*8H,4-7H2,1-3H3;10*1H4.

What are the key properties of methane;1-methyl-4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.2]octane;8-methyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;4-methyl-7-propan-2-yl-4,7-diazaspiro[2.5]octane;bis(1-methyl-4-propan-2-ylpiperazine);4-propan-2-yl-1,4-diazabicyclo[3.3.1]nonane?

methane;1-methyl-4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.2]octane;8-methyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;4-methyl-7-propan-2-yl-4,7-diazaspiro[2.5]octane;bis(1-methyl-4-propan-2-ylpiperazine);4-propan-2-yl-1,4-diazabicyclo[3.3.1]nonane has a molecular weight of 1468.65 g/mol, XLogP of 15.08, 8 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for methane;1-methyl-4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.2]octane;8-methyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;4-methyl-7-propan-2-yl-4,7-diazaspiro[2.5]octane;bis(1-methyl-4-propan-2-ylpiperazine);4-propan-2-yl-1,4-diazabicyclo[3.3.1]nonane is sourced from PubChem (CID 159352373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).