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

C77H158N16 — CID 161451125

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;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
SMILESCC(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
InChIInChI=1S/C12H24N2.4C10H20N2.C9H18N2.2C8H18N2/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;1-8(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
InChIKeyWANUBBSIIPMLAS-UHFFFAOYSA-N
MW1308.22 g/mol
LogP8.72
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;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

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 161451125) has the molecular formula C77H158N16 and a molecular weight of 1308.22 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;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 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;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 CID161451125
Molecular FormulaC77H158N16
Molecular Weight1308.22 g/mol
Exact Mass1307.29
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;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
SMILESCC(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
InChIInChI=1S/C12H24N2.4C10H20N2.C9H18N2.2C8H18N2/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;1-8(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
InChIKeyWANUBBSIIPMLAS-UHFFFAOYSA-N
XLogP8.72
TPSA51.84 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001308.22
LogP ≤ 58.72
H-Bond Donors ≤ 50
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;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 with MolForge

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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
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
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
8-Tert-butyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.2]octane
CID 159970504

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;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 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) 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;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 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 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 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 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 WANUBBSIIPMLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2.4C10H20N2.C9H18N2.2C8H18N2/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;1-8(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.
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;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?
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 1308.22 g/mol, XLogP of 8.72, 8 rotatable bonds, 0 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;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 161451125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).