bis(2-azaspiro[3.3]heptane);bis(6-azaspiro[3.4]octane);fluoromethane;tetrakis(2-methyl-1,3-benzoxazole);heptakis(2-methylpropane);N-methyl-N-propyl-1,3-benzoxazol-2-amine;bis(spiro[3.3]heptane);toluene

C133H224F8N10O5 — CID 161122092

About bis(2-azaspiro[3.3]heptane);bis(6-azaspiro[3.4]octane);fluoromethane;tetrakis(2-methyl-1,3-benzoxazole);heptakis(2-methylpropane);N-methyl-N-propyl-1,3-benzoxazol-2-amine;bis(spiro[3.3]heptane);toluene

bis(2-azaspiro[3.3]heptane);bis(6-azaspiro[3.4]octane);fluoromethane;tetrakis(2-methyl-1,3-benzoxazole);heptakis(2-methylpropane);N-methyl-N-propyl-1,3-benzoxazol-2-amine;bis(spiro[3.3]heptane);toluene (PubChem CID 161122092) has the molecular formula C133H224F8N10O5 and a molecular weight of 2195.30 g/mol. Its IUPAC name is bis(2-azaspiro[3.3]heptane);bis(6-azaspiro[3.4]octane);fluoromethane;tetrakis(2-methyl-1,3-benzoxazole);heptakis(2-methylpropane);N-methyl-N-propyl-1,3-benzoxazol-2-amine;bis(spiro[3.3]heptane);toluene.

Molecular Properties

• Compound Name: bis(2-azaspiro[3.3]heptane);bis(6-azaspiro[3.4]octane);fluoromethane;tetrakis(2-methyl-1,3-benzoxazole);heptakis(2-methylpropane);N-methyl-N-propyl-1,3-benzoxazol-2-amine;bis(spiro[3.3]heptane);toluene
• PubChem CID: 161122092
• Molecular Formula: C133H224F8N10O5
• Molecular Weight: 2195.30 g/mol
• Exact Mass: 2193.75
• IUPAC Name: bis(2-azaspiro[3.3]heptane);bis(6-azaspiro[3.4]octane);fluoromethane;tetrakis(2-methyl-1,3-benzoxazole);heptakis(2-methylpropane);N-methyl-N-propyl-1,3-benzoxazol-2-amine;bis(spiro[3.3]heptane);toluene
• SMILES: C1CC2(C1)CCC2.C1CC2(C1)CCC2.C1CC2(C1)CCNC2.C1CC2(C1)CCNC2.C1CC2(C1)CNC2.C1CC2(C1)CNC2.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CCCN(C)c1nc2ccccc2o1.CF.CF.CF.CF.CF.CF.CF.CF.Cc1ccccc1.Cc1ccccc1.Cc1nc2ccccc2o1.Cc1nc2ccccc2o1.Cc1nc2ccccc2o1.Cc1nc2ccccc2o1
• InChI: InChI=1S/C11H14N2O.4C8H7NO.2C7H13N.2C7H12.2C7H8.2C6H11N.7C4H10.8CH3F/c1-3-8-13(2)11-12-9-6-4-5-7-10(9)14-11;4*1-6-9-7-4-2-3-5-8(7)10-6;2*1-2-7(3-1)4-5-8-6-7;2*1-3-7(4-1)5-2-6-7;2*1-7-5-3-2-4-6-7;2*1-2-6(3-1)4-7-5-6;7*1-4(2)3;8*1-2/h4-7H,3,8H2,1-2H3;4*2-5H,1H3;2*8H,1-6H2;2*1-6H2;2*2-6H,1H3;2*7H,1-5H2;7*4H,1-3H3;8*1H3
• InChIKey: ULBWDKSPKQMMNH-UHFFFAOYSA-N
• XLogP: 40.03
• TPSA: 181.51 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 3
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2195.30
LogP ≤ 5	40.03
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of bis(2-azaspiro[3.3]heptane);bis(6-azaspiro[3.4]octane);fluoromethane;tetrakis(2-methyl-1,3-benzoxazole);heptakis(2-methylpropane);N-methyl-N-propyl-1,3-benzoxazol-2-amine;bis(spiro[3.3]heptane);toluene?

The IUPAC name of bis(2-azaspiro[3.3]heptane);bis(6-azaspiro[3.4]octane);fluoromethane;tetrakis(2-methyl-1,3-benzoxazole);heptakis(2-methylpropane);N-methyl-N-propyl-1,3-benzoxazol-2-amine;bis(spiro[3.3]heptane);toluene (CID 161122092) is bis(2-azaspiro[3.3]heptane);bis(6-azaspiro[3.4]octane);fluoromethane;tetrakis(2-methyl-1,3-benzoxazole);heptakis(2-methylpropane);N-methyl-N-propyl-1,3-benzoxazol-2-amine;bis(spiro[3.3]heptane);toluene.

What is the SMILES notation for bis(2-azaspiro[3.3]heptane);bis(6-azaspiro[3.4]octane);fluoromethane;tetrakis(2-methyl-1,3-benzoxazole);heptakis(2-methylpropane);N-methyl-N-propyl-1,3-benzoxazol-2-amine;bis(spiro[3.3]heptane);toluene?

The canonical SMILES for bis(2-azaspiro[3.3]heptane);bis(6-azaspiro[3.4]octane);fluoromethane;tetrakis(2-methyl-1,3-benzoxazole);heptakis(2-methylpropane);N-methyl-N-propyl-1,3-benzoxazol-2-amine;bis(spiro[3.3]heptane);toluene is C1CC2(C1)CCC2.C1CC2(C1)CCC2.C1CC2(C1)CCNC2.C1CC2(C1)CCNC2.C1CC2(C1)CNC2.C1CC2(C1)CNC2.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CCCN(C)c1nc2ccccc2o1.CF.CF.CF.CF.CF.CF.CF.CF.Cc1ccccc1.Cc1ccccc1.Cc1nc2ccccc2o1.Cc1nc2ccccc2o1.Cc1nc2ccccc2o1.Cc1nc2ccccc2o1.

What is the InChIKey of bis(2-azaspiro[3.3]heptane);bis(6-azaspiro[3.4]octane);fluoromethane;tetrakis(2-methyl-1,3-benzoxazole);heptakis(2-methylpropane);N-methyl-N-propyl-1,3-benzoxazol-2-amine;bis(spiro[3.3]heptane);toluene?

The InChIKey is ULBWDKSPKQMMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O.4C8H7NO.2C7H13N.2C7H12.2C7H8.2C6H11N.7C4H10.8CH3F/c1-3-8-13(2)11-12-9-6-4-5-7-10(9)14-11;4*1-6-9-7-4-2-3-5-8(7)10-6;2*1-2-7(3-1)4-5-8-6-7;2*1-3-7(4-1)5-2-6-7;2*1-7-5-3-2-4-6-7;2*1-2-6(3-1)4-7-5-6;7*1-4(2)3;8*1-2/h4-7H,3,8H2,1-2H3;4*2-5H,1H3;2*8H,1-6H2;2*1-6H2;2*2-6H,1H3;2*7H,1-5H2;7*4H,1-3H3;8*1H3.

What are the key properties of bis(2-azaspiro[3.3]heptane);bis(6-azaspiro[3.4]octane);fluoromethane;tetrakis(2-methyl-1,3-benzoxazole);heptakis(2-methylpropane);N-methyl-N-propyl-1,3-benzoxazol-2-amine;bis(spiro[3.3]heptane);toluene?

bis(2-azaspiro[3.3]heptane);bis(6-azaspiro[3.4]octane);fluoromethane;tetrakis(2-methyl-1,3-benzoxazole);heptakis(2-methylpropane);N-methyl-N-propyl-1,3-benzoxazol-2-amine;bis(spiro[3.3]heptane);toluene has a molecular weight of 2195.30 g/mol, XLogP of 40.03, 3 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-azaspiro[3.3]heptane);bis(6-azaspiro[3.4]octane);fluoromethane;tetrakis(2-methyl-1,3-benzoxazole);heptakis(2-methylpropane);N-methyl-N-propyl-1,3-benzoxazol-2-amine;bis(spiro[3.3]heptane);toluene is sourced from PubChem (CID 161122092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).