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;bis(1-methyl-4-propan-2-ylpiperazine);4-propan-2-yl-1,4-diazabicyclo[3.3.1]nonane;3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;7-propan-2-yl-4,7-diazaspiro[2.5]octane

C75H154N16 — CID 158193478

IUPAC1-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;bis(1-methyl-4-propan-2-ylpiperazine);4-propan-2-yl-1,4-diazabicyclo[3.3.1]nonane;3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;7-propan-2-yl-4,7-diazaspiro[2.5]octane
SMILESCC(C)N1CC2CC1CN2C.CC(C)N1CC2CCC(C1)N2.CC(C)N1CC2CCC1CN2C.CC(C)N1CCN(C)C2CCCCC21.CC(C)N1CCN(C)CC1.CC(C)N1CCN(C)CC1.CC(C)N1CCN2CCCC1C2.CC(C)N1CCNC2(CC2)C1
InChIInChI=1S/C12H24N2.2C10H20N2.3C9H18N2.2C8H18N2/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;1-9(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;1-7(2)11-5-8-3-4-9(6-11)10-8;1-8(2)11-6-5-10-9(7-11)3-4-9;2*1-8(2)10-6-4-9(3)5-7-10/h10-12H,4-9H2,1-3H3;8-10H,4-7H2,1-3H3;9-10H,3-8H2,1-2H3;7-9H,4-6H2,1-3H3;7-10H,3-6H2,1-2H3;8,10H,3-7H2,1-2H3;2*8H,4-7H2,1-3H3
InChIKeyGAAZGKANNDFIME-UHFFFAOYSA-N
MW1280.17 g/mol
LogP8.03
Rot. Bonds8

About 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;bis(1-methyl-4-propan-2-ylpiperazine);4-propan-2-yl-1,4-diazabicyclo[3.3.1]nonane;3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;7-propan-2-yl-4,7-diazaspiro[2.5]octane

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;bis(1-methyl-4-propan-2-ylpiperazine);4-propan-2-yl-1,4-diazabicyclo[3.3.1]nonane;3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;7-propan-2-yl-4,7-diazaspiro[2.5]octane (PubChem CID 158193478) has the molecular formula C75H154N16 and a molecular weight of 1280.17 g/mol. Its IUPAC name is 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;bis(1-methyl-4-propan-2-ylpiperazine);4-propan-2-yl-1,4-diazabicyclo[3.3.1]nonane;3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;7-propan-2-yl-4,7-diazaspiro[2.5]octane.

Molecular Properties

Compound Name1-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;bis(1-methyl-4-propan-2-ylpiperazine);4-propan-2-yl-1,4-diazabicyclo[3.3.1]nonane;3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;7-propan-2-yl-4,7-diazaspiro[2.5]octane
PubChem CID158193478
Molecular FormulaC75H154N16
Molecular Weight1280.17 g/mol
Exact Mass1279.25
IUPAC Name1-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;bis(1-methyl-4-propan-2-ylpiperazine);4-propan-2-yl-1,4-diazabicyclo[3.3.1]nonane;3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;7-propan-2-yl-4,7-diazaspiro[2.5]octane
SMILESCC(C)N1CC2CC1CN2C.CC(C)N1CC2CCC(C1)N2.CC(C)N1CC2CCC1CN2C.CC(C)N1CCN(C)C2CCCCC21.CC(C)N1CCN(C)CC1.CC(C)N1CCN(C)CC1.CC(C)N1CCN2CCCC1C2.CC(C)N1CCNC2(CC2)C1
InChIInChI=1S/C12H24N2.2C10H20N2.3C9H18N2.2C8H18N2/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;1-9(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;1-7(2)11-5-8-3-4-9(6-11)10-8;1-8(2)11-6-5-10-9(7-11)3-4-9;2*1-8(2)10-6-4-9(3)5-7-10/h10-12H,4-9H2,1-3H3;8-10H,4-7H2,1-3H3;9-10H,3-8H2,1-2H3;7-9H,4-6H2,1-3H3;7-10H,3-6H2,1-2H3;8,10H,3-7H2,1-2H3;2*8H,4-7H2,1-3H3
InChIKeyGAAZGKANNDFIME-UHFFFAOYSA-N
XLogP8.03
TPSA69.42 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001280.17
LogP ≤ 58.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Analyze 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;bis(1-methyl-4-propan-2-ylpiperazine);4-propan-2-yl-1,4-diazabicyclo[3.3.1]nonane;3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;7-propan-2-yl-4,7-diazaspiro[2.5]octane with MolForge

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Launch Full Analysis

Related Compounds

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 157339956
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
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 161451125

Frequently Asked Questions

What is the IUPAC name of 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;bis(1-methyl-4-propan-2-ylpiperazine);4-propan-2-yl-1,4-diazabicyclo[3.3.1]nonane;3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;7-propan-2-yl-4,7-diazaspiro[2.5]octane?
The IUPAC name of 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;bis(1-methyl-4-propan-2-ylpiperazine);4-propan-2-yl-1,4-diazabicyclo[3.3.1]nonane;3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;7-propan-2-yl-4,7-diazaspiro[2.5]octane (CID 158193478) is 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;bis(1-methyl-4-propan-2-ylpiperazine);4-propan-2-yl-1,4-diazabicyclo[3.3.1]nonane;3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;7-propan-2-yl-4,7-diazaspiro[2.5]octane.
What is the SMILES notation for 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;bis(1-methyl-4-propan-2-ylpiperazine);4-propan-2-yl-1,4-diazabicyclo[3.3.1]nonane;3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;7-propan-2-yl-4,7-diazaspiro[2.5]octane?
The canonical SMILES for 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;bis(1-methyl-4-propan-2-ylpiperazine);4-propan-2-yl-1,4-diazabicyclo[3.3.1]nonane;3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;7-propan-2-yl-4,7-diazaspiro[2.5]octane is CC(C)N1CC2CC1CN2C.CC(C)N1CC2CCC(C1)N2.CC(C)N1CC2CCC1CN2C.CC(C)N1CCN(C)C2CCCCC21.CC(C)N1CCN(C)CC1.CC(C)N1CCN(C)CC1.CC(C)N1CCN2CCCC1C2.CC(C)N1CCNC2(CC2)C1.
What is the InChIKey of 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;bis(1-methyl-4-propan-2-ylpiperazine);4-propan-2-yl-1,4-diazabicyclo[3.3.1]nonane;3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;7-propan-2-yl-4,7-diazaspiro[2.5]octane?
The InChIKey is GAAZGKANNDFIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2.2C10H20N2.3C9H18N2.2C8H18N2/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;1-9(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;1-7(2)11-5-8-3-4-9(6-11)10-8;1-8(2)11-6-5-10-9(7-11)3-4-9;2*1-8(2)10-6-4-9(3)5-7-10/h10-12H,4-9H2,1-3H3;8-10H,4-7H2,1-3H3;9-10H,3-8H2,1-2H3;7-9H,4-6H2,1-3H3;7-10H,3-6H2,1-2H3;8,10H,3-7H2,1-2H3;2*8H,4-7H2,1-3H3.
What are the key properties of 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;bis(1-methyl-4-propan-2-ylpiperazine);4-propan-2-yl-1,4-diazabicyclo[3.3.1]nonane;3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;7-propan-2-yl-4,7-diazaspiro[2.5]octane?
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;bis(1-methyl-4-propan-2-ylpiperazine);4-propan-2-yl-1,4-diazabicyclo[3.3.1]nonane;3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;7-propan-2-yl-4,7-diazaspiro[2.5]octane has a molecular weight of 1280.17 g/mol, XLogP of 8.03, 8 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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;bis(1-methyl-4-propan-2-ylpiperazine);4-propan-2-yl-1,4-diazabicyclo[3.3.1]nonane;3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;7-propan-2-yl-4,7-diazaspiro[2.5]octane is sourced from PubChem (CID 158193478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).