2,5-dimethyl-2-azabicyclo[2.2.1]heptane;3,6-dimethyl-6-azabicyclo[3.1.1]heptane;2,5-dimethyl-2-azabicyclo[2.2.2]octane;ethane;methane;6-methyl-3-(3-methylpentan-3-yl)-6-azabicyclo[3.1.1]heptane;8-methyl-3-(3-methylpentan-3-yl)-8-azabicyclo[3.2.1]octane

C63H133N5 — CID 161375107

IUPAC2,5-dimethyl-2-azabicyclo[2.2.1]heptane;3,6-dimethyl-6-azabicyclo[3.1.1]heptane;2,5-dimethyl-2-azabicyclo[2.2.2]octane;ethane;methane;6-methyl-3-(3-methylpentan-3-yl)-6-azabicyclo[3.1.1]heptane;8-methyl-3-(3-methylpentan-3-yl)-8-azabicyclo[3.2.1]octane
SMILESC.CC.CC.CC.CC.CC.CC1CC2CC(C1)N2C.CC1CC2CC1CN2C.CC1CC2CCC1CN2C.CCC(C)(CC)C1CC2CC(C1)N2C.CCC(C)(CC)C1CC2CCC(C1)N2C
InChIInChI=1S/C14H27N.C13H25N.C9H17N.2C8H15N.5C2H6.CH4/c1-5-14(3,6-2)11-9-12-7-8-13(10-11)15(12)4;1-5-13(3,6-2)10-7-11-9-12(8-10)14(11)4;1-7-5-9-4-3-8(7)6-10(9)2;1-6-3-8-4-7(6)5-9(8)2;1-6-3-7-5-8(4-6)9(7)2;5*1-2;/h11-13H,5-10H2,1-4H3;10-12H,5-9H2,1-4H3;7-9H,3-6H2,1-2H3;2*6-8H,3-5H2,1-2H3;5*1-2H3;1H4
InChIKeyVQYZBCSGCQMMPR-UHFFFAOYSA-N
MW960.79 g/mol
LogP17.32
Rot. Bonds6

About 2,5-dimethyl-2-azabicyclo[2.2.1]heptane;3,6-dimethyl-6-azabicyclo[3.1.1]heptane;2,5-dimethyl-2-azabicyclo[2.2.2]octane;ethane;methane;6-methyl-3-(3-methylpentan-3-yl)-6-azabicyclo[3.1.1]heptane;8-methyl-3-(3-methylpentan-3-yl)-8-azabicyclo[3.2.1]octane

2,5-dimethyl-2-azabicyclo[2.2.1]heptane;3,6-dimethyl-6-azabicyclo[3.1.1]heptane;2,5-dimethyl-2-azabicyclo[2.2.2]octane;ethane;methane;6-methyl-3-(3-methylpentan-3-yl)-6-azabicyclo[3.1.1]heptane;8-methyl-3-(3-methylpentan-3-yl)-8-azabicyclo[3.2.1]octane (PubChem CID 161375107) has the molecular formula C63H133N5 and a molecular weight of 960.79 g/mol. Its IUPAC name is 2,5-dimethyl-2-azabicyclo[2.2.1]heptane;3,6-dimethyl-6-azabicyclo[3.1.1]heptane;2,5-dimethyl-2-azabicyclo[2.2.2]octane;ethane;methane;6-methyl-3-(3-methylpentan-3-yl)-6-azabicyclo[3.1.1]heptane;8-methyl-3-(3-methylpentan-3-yl)-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name2,5-dimethyl-2-azabicyclo[2.2.1]heptane;3,6-dimethyl-6-azabicyclo[3.1.1]heptane;2,5-dimethyl-2-azabicyclo[2.2.2]octane;ethane;methane;6-methyl-3-(3-methylpentan-3-yl)-6-azabicyclo[3.1.1]heptane;8-methyl-3-(3-methylpentan-3-yl)-8-azabicyclo[3.2.1]octane
PubChem CID161375107
Molecular FormulaC63H133N5
Molecular Weight960.79 g/mol
Exact Mass960.06
IUPAC Name2,5-dimethyl-2-azabicyclo[2.2.1]heptane;3,6-dimethyl-6-azabicyclo[3.1.1]heptane;2,5-dimethyl-2-azabicyclo[2.2.2]octane;ethane;methane;6-methyl-3-(3-methylpentan-3-yl)-6-azabicyclo[3.1.1]heptane;8-methyl-3-(3-methylpentan-3-yl)-8-azabicyclo[3.2.1]octane
SMILESC.CC.CC.CC.CC.CC.CC1CC2CC(C1)N2C.CC1CC2CC1CN2C.CC1CC2CCC1CN2C.CCC(C)(CC)C1CC2CC(C1)N2C.CCC(C)(CC)C1CC2CCC(C1)N2C
InChIInChI=1S/C14H27N.C13H25N.C9H17N.2C8H15N.5C2H6.CH4/c1-5-14(3,6-2)11-9-12-7-8-13(10-11)15(12)4;1-5-13(3,6-2)10-7-11-9-12(8-10)14(11)4;1-7-5-9-4-3-8(7)6-10(9)2;1-6-3-8-4-7(6)5-9(8)2;1-6-3-7-5-8(4-6)9(7)2;5*1-2;/h11-13H,5-10H2,1-4H3;10-12H,5-9H2,1-4H3;7-9H,3-6H2,1-2H3;2*6-8H,3-5H2,1-2H3;5*1-2H3;1H4
InChIKeyVQYZBCSGCQMMPR-UHFFFAOYSA-N
XLogP17.32
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500960.79
LogP ≤ 517.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,5-dimethyl-2-azabicyclo[2.2.1]heptane;3,6-dimethyl-6-azabicyclo[3.1.1]heptane;2,5-dimethyl-2-azabicyclo[2.2.2]octane;ethane;methane;6-methyl-3-(3-methylpentan-3-yl)-6-azabicyclo[3.1.1]heptane;8-methyl-3-(3-methylpentan-3-yl)-8-azabicyclo[3.2.1]octane with MolForge

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Related Compounds

2,5-Dimethyl-2-azabicyclo[2.2.1]heptane;bis(3,6-dimethyl-6-azabicyclo[3.1.1]heptane);2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;ethane;methane
CID 157398714
2-Methyl-2-azabicyclo[2.2.1]heptane;3-methyl-3-azabicyclo[3.1.1]heptane;6-methyl-6-azabicyclo[3.1.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;8-methyl-8-azabicyclo[3.2.1]octane
CID 158601922
2,5-Dimethyl-2-azabicyclo[2.2.1]heptane;bis(3,6-dimethyl-6-azabicyclo[3.1.1]heptane);2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;ethane;methane
CID 159321894
2,5-Dimethyl-2-azabicyclo[2.2.1]heptane;bis(3,6-dimethyl-6-azabicyclo[3.1.1]heptane);2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;ethane
CID 159514139
2,5-Dimethyl-2-azabicyclo[2.2.1]heptane;bis(3,6-dimethyl-6-azabicyclo[3.1.1]heptane);2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;ethane;methane
CID 161984156

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-2-azabicyclo[2.2.1]heptane;3,6-dimethyl-6-azabicyclo[3.1.1]heptane;2,5-dimethyl-2-azabicyclo[2.2.2]octane;ethane;methane;6-methyl-3-(3-methylpentan-3-yl)-6-azabicyclo[3.1.1]heptane;8-methyl-3-(3-methylpentan-3-yl)-8-azabicyclo[3.2.1]octane?
The IUPAC name of 2,5-dimethyl-2-azabicyclo[2.2.1]heptane;3,6-dimethyl-6-azabicyclo[3.1.1]heptane;2,5-dimethyl-2-azabicyclo[2.2.2]octane;ethane;methane;6-methyl-3-(3-methylpentan-3-yl)-6-azabicyclo[3.1.1]heptane;8-methyl-3-(3-methylpentan-3-yl)-8-azabicyclo[3.2.1]octane (CID 161375107) is 2,5-dimethyl-2-azabicyclo[2.2.1]heptane;3,6-dimethyl-6-azabicyclo[3.1.1]heptane;2,5-dimethyl-2-azabicyclo[2.2.2]octane;ethane;methane;6-methyl-3-(3-methylpentan-3-yl)-6-azabicyclo[3.1.1]heptane;8-methyl-3-(3-methylpentan-3-yl)-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 2,5-dimethyl-2-azabicyclo[2.2.1]heptane;3,6-dimethyl-6-azabicyclo[3.1.1]heptane;2,5-dimethyl-2-azabicyclo[2.2.2]octane;ethane;methane;6-methyl-3-(3-methylpentan-3-yl)-6-azabicyclo[3.1.1]heptane;8-methyl-3-(3-methylpentan-3-yl)-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 2,5-dimethyl-2-azabicyclo[2.2.1]heptane;3,6-dimethyl-6-azabicyclo[3.1.1]heptane;2,5-dimethyl-2-azabicyclo[2.2.2]octane;ethane;methane;6-methyl-3-(3-methylpentan-3-yl)-6-azabicyclo[3.1.1]heptane;8-methyl-3-(3-methylpentan-3-yl)-8-azabicyclo[3.2.1]octane is C.CC.CC.CC.CC.CC.CC1CC2CC(C1)N2C.CC1CC2CC1CN2C.CC1CC2CCC1CN2C.CCC(C)(CC)C1CC2CC(C1)N2C.CCC(C)(CC)C1CC2CCC(C1)N2C.
What is the InChIKey of 2,5-dimethyl-2-azabicyclo[2.2.1]heptane;3,6-dimethyl-6-azabicyclo[3.1.1]heptane;2,5-dimethyl-2-azabicyclo[2.2.2]octane;ethane;methane;6-methyl-3-(3-methylpentan-3-yl)-6-azabicyclo[3.1.1]heptane;8-methyl-3-(3-methylpentan-3-yl)-8-azabicyclo[3.2.1]octane?
The InChIKey is VQYZBCSGCQMMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N.C13H25N.C9H17N.2C8H15N.5C2H6.CH4/c1-5-14(3,6-2)11-9-12-7-8-13(10-11)15(12)4;1-5-13(3,6-2)10-7-11-9-12(8-10)14(11)4;1-7-5-9-4-3-8(7)6-10(9)2;1-6-3-8-4-7(6)5-9(8)2;1-6-3-7-5-8(4-6)9(7)2;5*1-2;/h11-13H,5-10H2,1-4H3;10-12H,5-9H2,1-4H3;7-9H,3-6H2,1-2H3;2*6-8H,3-5H2,1-2H3;5*1-2H3;1H4.
What are the key properties of 2,5-dimethyl-2-azabicyclo[2.2.1]heptane;3,6-dimethyl-6-azabicyclo[3.1.1]heptane;2,5-dimethyl-2-azabicyclo[2.2.2]octane;ethane;methane;6-methyl-3-(3-methylpentan-3-yl)-6-azabicyclo[3.1.1]heptane;8-methyl-3-(3-methylpentan-3-yl)-8-azabicyclo[3.2.1]octane?
2,5-dimethyl-2-azabicyclo[2.2.1]heptane;3,6-dimethyl-6-azabicyclo[3.1.1]heptane;2,5-dimethyl-2-azabicyclo[2.2.2]octane;ethane;methane;6-methyl-3-(3-methylpentan-3-yl)-6-azabicyclo[3.1.1]heptane;8-methyl-3-(3-methylpentan-3-yl)-8-azabicyclo[3.2.1]octane has a molecular weight of 960.79 g/mol, XLogP of 17.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-2-azabicyclo[2.2.1]heptane;3,6-dimethyl-6-azabicyclo[3.1.1]heptane;2,5-dimethyl-2-azabicyclo[2.2.2]octane;ethane;methane;6-methyl-3-(3-methylpentan-3-yl)-6-azabicyclo[3.1.1]heptane;8-methyl-3-(3-methylpentan-3-yl)-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 161375107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).