2,8-dimethyl-8-azabicyclo[3.2.1]octane;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;4-ethyl-3-methylazepane;methane;3-methyl-1-azabicyclo[2.2.1]heptane;methylcyclobutane

C61H135N7 — CID 157113571

IUPAC2,8-dimethyl-8-azabicyclo[3.2.1]octane;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;4-ethyl-3-methylazepane;methane;3-methyl-1-azabicyclo[2.2.1]heptane;methylcyclobutane
SMILESC.C.C.C.C.CC1CCC1.CC1CCC2CCC1N2C.CC1CCCN(C)C1.CC1CCCN1C.CC1CCN(C)C1.CC1CCN(C)CC1.CC1CN2CCC1C2.CCC1CCCNCC1C
InChIInChI=1S/C9H17N.C9H19N.C7H13N.2C7H15N.2C6H13N.C5H10.5CH4/c1-7-3-4-8-5-6-9(7)10(8)2;1-3-9-5-4-6-10-7-8(9)2;1-6-4-8-3-2-7(6)5-8;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-6-3-4-7(2)5-6;1-6-4-3-5-7(6)2;1-5-3-2-4-5;;;;;/h7-9H,3-6H2,1-2H3;8-10H,3-7H2,1-2H3;6-7H,2-5H2,1H3;2*7H,3-6H2,1-2H3;2*6H,3-5H2,1-2H3;5H,2-4H2,1H3;5*1H4
InChIKeyAHDAEFFFLWTCCQ-UHFFFAOYSA-N
MW966.80 g/mol
LogP14.61
Rot. Bonds1

About 2,8-dimethyl-8-azabicyclo[3.2.1]octane;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;4-ethyl-3-methylazepane;methane;3-methyl-1-azabicyclo[2.2.1]heptane;methylcyclobutane

2,8-dimethyl-8-azabicyclo[3.2.1]octane;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;4-ethyl-3-methylazepane;methane;3-methyl-1-azabicyclo[2.2.1]heptane;methylcyclobutane (PubChem CID 157113571) has the molecular formula C61H135N7 and a molecular weight of 966.80 g/mol. Its IUPAC name is 2,8-dimethyl-8-azabicyclo[3.2.1]octane;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;4-ethyl-3-methylazepane;methane;3-methyl-1-azabicyclo[2.2.1]heptane;methylcyclobutane.

Molecular Properties

Compound Name2,8-dimethyl-8-azabicyclo[3.2.1]octane;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;4-ethyl-3-methylazepane;methane;3-methyl-1-azabicyclo[2.2.1]heptane;methylcyclobutane
PubChem CID157113571
Molecular FormulaC61H135N7
Molecular Weight966.80 g/mol
Exact Mass966.08
IUPAC Name2,8-dimethyl-8-azabicyclo[3.2.1]octane;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;4-ethyl-3-methylazepane;methane;3-methyl-1-azabicyclo[2.2.1]heptane;methylcyclobutane
SMILESC.C.C.C.C.CC1CCC1.CC1CCC2CCC1N2C.CC1CCCN(C)C1.CC1CCCN1C.CC1CCN(C)C1.CC1CCN(C)CC1.CC1CN2CCC1C2.CCC1CCCNCC1C
InChIInChI=1S/C9H17N.C9H19N.C7H13N.2C7H15N.2C6H13N.C5H10.5CH4/c1-7-3-4-8-5-6-9(7)10(8)2;1-3-9-5-4-6-10-7-8(9)2;1-6-4-8-3-2-7(6)5-8;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-6-3-4-7(2)5-6;1-6-4-3-5-7(6)2;1-5-3-2-4-5;;;;;/h7-9H,3-6H2,1-2H3;8-10H,3-7H2,1-2H3;6-7H,2-5H2,1H3;2*7H,3-6H2,1-2H3;2*6H,3-5H2,1-2H3;5H,2-4H2,1H3;5*1H4
InChIKeyAHDAEFFFLWTCCQ-UHFFFAOYSA-N
XLogP14.61
TPSA31.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500966.80
LogP ≤ 514.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2,8-dimethyl-8-azabicyclo[3.2.1]octane;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;4-ethyl-3-methylazepane;methane;3-methyl-1-azabicyclo[2.2.1]heptane;methylcyclobutane with MolForge

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Related Compounds

2,8-Dimethyl-8-azabicyclo[3.2.1]octane;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;3-methyl-1-azabicyclo[2.2.1]heptane;3-methyl-1-azabicyclo[2.2.2]octane;6-methyl-1-azabicyclo[3.2.1]octane
CID 158820059

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-8-azabicyclo[3.2.1]octane;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;4-ethyl-3-methylazepane;methane;3-methyl-1-azabicyclo[2.2.1]heptane;methylcyclobutane?
The IUPAC name of 2,8-dimethyl-8-azabicyclo[3.2.1]octane;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;4-ethyl-3-methylazepane;methane;3-methyl-1-azabicyclo[2.2.1]heptane;methylcyclobutane (CID 157113571) is 2,8-dimethyl-8-azabicyclo[3.2.1]octane;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;4-ethyl-3-methylazepane;methane;3-methyl-1-azabicyclo[2.2.1]heptane;methylcyclobutane.
What is the SMILES notation for 2,8-dimethyl-8-azabicyclo[3.2.1]octane;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;4-ethyl-3-methylazepane;methane;3-methyl-1-azabicyclo[2.2.1]heptane;methylcyclobutane?
The canonical SMILES for 2,8-dimethyl-8-azabicyclo[3.2.1]octane;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;4-ethyl-3-methylazepane;methane;3-methyl-1-azabicyclo[2.2.1]heptane;methylcyclobutane is C.C.C.C.C.CC1CCC1.CC1CCC2CCC1N2C.CC1CCCN(C)C1.CC1CCCN1C.CC1CCN(C)C1.CC1CCN(C)CC1.CC1CN2CCC1C2.CCC1CCCNCC1C.
What is the InChIKey of 2,8-dimethyl-8-azabicyclo[3.2.1]octane;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;4-ethyl-3-methylazepane;methane;3-methyl-1-azabicyclo[2.2.1]heptane;methylcyclobutane?
The InChIKey is AHDAEFFFLWTCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.C9H19N.C7H13N.2C7H15N.2C6H13N.C5H10.5CH4/c1-7-3-4-8-5-6-9(7)10(8)2;1-3-9-5-4-6-10-7-8(9)2;1-6-4-8-3-2-7(6)5-8;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-6-3-4-7(2)5-6;1-6-4-3-5-7(6)2;1-5-3-2-4-5;;;;;/h7-9H,3-6H2,1-2H3;8-10H,3-7H2,1-2H3;6-7H,2-5H2,1H3;2*7H,3-6H2,1-2H3;2*6H,3-5H2,1-2H3;5H,2-4H2,1H3;5*1H4.
What are the key properties of 2,8-dimethyl-8-azabicyclo[3.2.1]octane;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;4-ethyl-3-methylazepane;methane;3-methyl-1-azabicyclo[2.2.1]heptane;methylcyclobutane?
2,8-dimethyl-8-azabicyclo[3.2.1]octane;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;4-ethyl-3-methylazepane;methane;3-methyl-1-azabicyclo[2.2.1]heptane;methylcyclobutane has a molecular weight of 966.80 g/mol, XLogP of 14.61, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-8-azabicyclo[3.2.1]octane;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;4-ethyl-3-methylazepane;methane;3-methyl-1-azabicyclo[2.2.1]heptane;methylcyclobutane is sourced from PubChem (CID 157113571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).