3,6-dimethyl-6-azabicyclo[3.1.1]heptane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;methane

C33H72N4 — CID 157251019

IUPAC3,6-dimethyl-6-azabicyclo[3.1.1]heptane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;methane
SMILESC.C.C.CC1CC2CC(C1)N2C.CC1CC2CCC(C1)N2C.CC1CCN(C)C1.CC1CCN(C)CC1
InChIInChI=1S/C9H17N.C8H15N.C7H15N.C6H13N.3CH4/c1-7-5-8-3-4-9(6-7)10(8)2;1-6-3-7-5-8(4-6)9(7)2;1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)5-6;;;/h7-9H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;7H,3-6H2,1-2H3;6H,3-5H2,1-2H3;3*1H4
InChIKeyAWIPOHRWSQZROB-UHFFFAOYSA-N
MW524.97 g/mol
LogP7.58
Rot. Bonds

About 3,6-dimethyl-6-azabicyclo[3.1.1]heptane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;methane

3,6-dimethyl-6-azabicyclo[3.1.1]heptane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;methane (PubChem CID 157251019) has the molecular formula C33H72N4 and a molecular weight of 524.97 g/mol. Its IUPAC name is 3,6-dimethyl-6-azabicyclo[3.1.1]heptane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;methane.

Molecular Properties

Compound Name3,6-dimethyl-6-azabicyclo[3.1.1]heptane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;methane
PubChem CID157251019
Molecular FormulaC33H72N4
Molecular Weight524.97 g/mol
Exact Mass524.58
IUPAC Name3,6-dimethyl-6-azabicyclo[3.1.1]heptane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;methane
SMILESC.C.C.CC1CC2CC(C1)N2C.CC1CC2CCC(C1)N2C.CC1CCN(C)C1.CC1CCN(C)CC1
InChIInChI=1S/C9H17N.C8H15N.C7H15N.C6H13N.3CH4/c1-7-5-8-3-4-9(6-7)10(8)2;1-6-3-7-5-8(4-6)9(7)2;1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)5-6;;;/h7-9H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;7H,3-6H2,1-2H3;6H,3-5H2,1-2H3;3*1H4
InChIKeyAWIPOHRWSQZROB-UHFFFAOYSA-N
XLogP7.58
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.97
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,6-dimethyl-6-azabicyclo[3.1.1]heptane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-6-azabicyclo[3.1.1]heptane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;methane?
The IUPAC name of 3,6-dimethyl-6-azabicyclo[3.1.1]heptane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;methane (CID 157251019) is 3,6-dimethyl-6-azabicyclo[3.1.1]heptane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;methane.
What is the SMILES notation for 3,6-dimethyl-6-azabicyclo[3.1.1]heptane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;methane?
The canonical SMILES for 3,6-dimethyl-6-azabicyclo[3.1.1]heptane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;methane is C.C.C.CC1CC2CC(C1)N2C.CC1CC2CCC(C1)N2C.CC1CCN(C)C1.CC1CCN(C)CC1.
What is the InChIKey of 3,6-dimethyl-6-azabicyclo[3.1.1]heptane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;methane?
The InChIKey is AWIPOHRWSQZROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.C8H15N.C7H15N.C6H13N.3CH4/c1-7-5-8-3-4-9(6-7)10(8)2;1-6-3-7-5-8(4-6)9(7)2;1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)5-6;;;/h7-9H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;7H,3-6H2,1-2H3;6H,3-5H2,1-2H3;3*1H4.
What are the key properties of 3,6-dimethyl-6-azabicyclo[3.1.1]heptane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;methane?
3,6-dimethyl-6-azabicyclo[3.1.1]heptane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;methane has a molecular weight of 524.97 g/mol, XLogP of 7.58, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-6-azabicyclo[3.1.1]heptane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;methane is sourced from PubChem (CID 157251019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).