1-azabicyclo[2.2.2]octane;2-methyl-1,4-diazabicyclo[2.2.2]octane

C14H27N3 — CID 19351690

IUPAC1-azabicyclo[2.2.2]octane;2-methyl-1,4-diazabicyclo[2.2.2]octane
SMILESC1CN2CCC1CC2.CC1CN2CCN1CC2
InChIInChI=1S/C7H14N2.C7H13N/c1-7-6-8-2-4-9(7)5-3-8;1-4-8-5-2-7(1)3-6-8/h7H,2-6H2,1H3;7H,1-6H2
InChIKeyLNSPWRPIXIOXQO-UHFFFAOYSA-N
MW237.39 g/mol
LogP1.11
Rot. Bonds

About 1-azabicyclo[2.2.2]octane;2-methyl-1,4-diazabicyclo[2.2.2]octane

1-azabicyclo[2.2.2]octane;2-methyl-1,4-diazabicyclo[2.2.2]octane (PubChem CID 19351690) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-azabicyclo[2.2.2]octane;2-methyl-1,4-diazabicyclo[2.2.2]octane.

Molecular Properties

Compound Name1-azabicyclo[2.2.2]octane;2-methyl-1,4-diazabicyclo[2.2.2]octane
PubChem CID19351690
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name1-azabicyclo[2.2.2]octane;2-methyl-1,4-diazabicyclo[2.2.2]octane
SMILESC1CN2CCC1CC2.CC1CN2CCN1CC2
InChIInChI=1S/C7H14N2.C7H13N/c1-7-6-8-2-4-9(7)5-3-8;1-4-8-5-2-7(1)3-6-8/h7H,2-6H2,1H3;7H,1-6H2
InChIKeyLNSPWRPIXIOXQO-UHFFFAOYSA-N
XLogP1.11
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[2.2.2]octane;2-methyl-1,4-diazabicyclo[2.2.2]octane?
The IUPAC name of 1-azabicyclo[2.2.2]octane;2-methyl-1,4-diazabicyclo[2.2.2]octane (CID 19351690) is 1-azabicyclo[2.2.2]octane;2-methyl-1,4-diazabicyclo[2.2.2]octane.
What is the SMILES notation for 1-azabicyclo[2.2.2]octane;2-methyl-1,4-diazabicyclo[2.2.2]octane?
The canonical SMILES for 1-azabicyclo[2.2.2]octane;2-methyl-1,4-diazabicyclo[2.2.2]octane is C1CN2CCC1CC2.CC1CN2CCN1CC2.
What is the InChIKey of 1-azabicyclo[2.2.2]octane;2-methyl-1,4-diazabicyclo[2.2.2]octane?
The InChIKey is LNSPWRPIXIOXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2.C7H13N/c1-7-6-8-2-4-9(7)5-3-8;1-4-8-5-2-7(1)3-6-8/h7H,2-6H2,1H3;7H,1-6H2.
What are the key properties of 1-azabicyclo[2.2.2]octane;2-methyl-1,4-diazabicyclo[2.2.2]octane?
1-azabicyclo[2.2.2]octane;2-methyl-1,4-diazabicyclo[2.2.2]octane has a molecular weight of 237.39 g/mol, XLogP of 1.11, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[2.2.2]octane;2-methyl-1,4-diazabicyclo[2.2.2]octane is sourced from PubChem (CID 19351690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).