2,6-dimethyl-2-azabicyclo[2.2.1]heptane;2,6-dimethyl-2-azabicyclo[2.2.2]octane;methylcyclobutane

C22H42N2 — CID 159749913

IUPAC2,6-dimethyl-2-azabicyclo[2.2.1]heptane;2,6-dimethyl-2-azabicyclo[2.2.2]octane;methylcyclobutane
SMILESCC1CC2CC1N(C)C2.CC1CC2CCC1N(C)C2.CC1CCC1
InChIInChI=1S/C9H17N.C8H15N.C5H10/c1-7-5-8-3-4-9(7)10(2)6-8;1-6-3-7-4-8(6)9(2)5-7;1-5-3-2-4-5/h7-9H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;5H,2-4H2,1H3
InChIKeyNDNHLLJKJKIJCD-UHFFFAOYSA-N
MW334.59 g/mol
LogP4.89
Rot. Bonds

About 2,6-dimethyl-2-azabicyclo[2.2.1]heptane;2,6-dimethyl-2-azabicyclo[2.2.2]octane;methylcyclobutane

2,6-dimethyl-2-azabicyclo[2.2.1]heptane;2,6-dimethyl-2-azabicyclo[2.2.2]octane;methylcyclobutane (PubChem CID 159749913) has the molecular formula C22H42N2 and a molecular weight of 334.59 g/mol. Its IUPAC name is 2,6-dimethyl-2-azabicyclo[2.2.1]heptane;2,6-dimethyl-2-azabicyclo[2.2.2]octane;methylcyclobutane.

Molecular Properties

Compound Name2,6-dimethyl-2-azabicyclo[2.2.1]heptane;2,6-dimethyl-2-azabicyclo[2.2.2]octane;methylcyclobutane
PubChem CID159749913
Molecular FormulaC22H42N2
Molecular Weight334.59 g/mol
Exact Mass334.33
IUPAC Name2,6-dimethyl-2-azabicyclo[2.2.1]heptane;2,6-dimethyl-2-azabicyclo[2.2.2]octane;methylcyclobutane
SMILESCC1CC2CC1N(C)C2.CC1CC2CCC1N(C)C2.CC1CCC1
InChIInChI=1S/C9H17N.C8H15N.C5H10/c1-7-5-8-3-4-9(7)10(2)6-8;1-6-3-7-4-8(6)9(2)5-7;1-5-3-2-4-5/h7-9H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;5H,2-4H2,1H3
InChIKeyNDNHLLJKJKIJCD-UHFFFAOYSA-N
XLogP4.89
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.59
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-2-azabicyclo[2.2.1]heptane;2,6-dimethyl-2-azabicyclo[2.2.2]octane;methylcyclobutane?
The IUPAC name of 2,6-dimethyl-2-azabicyclo[2.2.1]heptane;2,6-dimethyl-2-azabicyclo[2.2.2]octane;methylcyclobutane (CID 159749913) is 2,6-dimethyl-2-azabicyclo[2.2.1]heptane;2,6-dimethyl-2-azabicyclo[2.2.2]octane;methylcyclobutane.
What is the SMILES notation for 2,6-dimethyl-2-azabicyclo[2.2.1]heptane;2,6-dimethyl-2-azabicyclo[2.2.2]octane;methylcyclobutane?
The canonical SMILES for 2,6-dimethyl-2-azabicyclo[2.2.1]heptane;2,6-dimethyl-2-azabicyclo[2.2.2]octane;methylcyclobutane is CC1CC2CC1N(C)C2.CC1CC2CCC1N(C)C2.CC1CCC1.
What is the InChIKey of 2,6-dimethyl-2-azabicyclo[2.2.1]heptane;2,6-dimethyl-2-azabicyclo[2.2.2]octane;methylcyclobutane?
The InChIKey is NDNHLLJKJKIJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.C8H15N.C5H10/c1-7-5-8-3-4-9(7)10(2)6-8;1-6-3-7-4-8(6)9(2)5-7;1-5-3-2-4-5/h7-9H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;5H,2-4H2,1H3.
What are the key properties of 2,6-dimethyl-2-azabicyclo[2.2.1]heptane;2,6-dimethyl-2-azabicyclo[2.2.2]octane;methylcyclobutane?
2,6-dimethyl-2-azabicyclo[2.2.1]heptane;2,6-dimethyl-2-azabicyclo[2.2.2]octane;methylcyclobutane has a molecular weight of 334.59 g/mol, XLogP of 4.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-2-azabicyclo[2.2.1]heptane;2,6-dimethyl-2-azabicyclo[2.2.2]octane;methylcyclobutane is sourced from PubChem (CID 159749913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).