3-(2-azabicyclo[2.2.2]octan-2-yl)-2-methylpropan-1-amine

C11H22N2 — CID 130594961

IUPAC3-(2-azabicyclo[2.2.2]octan-2-yl)-2-methylpropan-1-amine
SMILESCC(CN)CN1CC2CCC1CC2
InChIInChI=1S/C11H22N2/c1-9(6-12)7-13-8-10-2-4-11(13)5-3-10/h9-11H,2-8,12H2,1H3
InChIKeyPBHVJWIGTPICSS-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.46
Rot. Bonds3

About 3-(2-azabicyclo[2.2.2]octan-2-yl)-2-methylpropan-1-amine

3-(2-azabicyclo[2.2.2]octan-2-yl)-2-methylpropan-1-amine (PubChem CID 130594961) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 3-(2-azabicyclo[2.2.2]octan-2-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(2-azabicyclo[2.2.2]octan-2-yl)-2-methylpropan-1-amine
PubChem CID130594961
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name3-(2-azabicyclo[2.2.2]octan-2-yl)-2-methylpropan-1-amine
SMILESCC(CN)CN1CC2CCC1CC2
InChIInChI=1S/C11H22N2/c1-9(6-12)7-13-8-10-2-4-11(13)5-3-10/h9-11H,2-8,12H2,1H3
InChIKeyPBHVJWIGTPICSS-UHFFFAOYSA-N
XLogP1.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-azabicyclo[2.2.2]octan-2-yl)-2-methylpropan-1-amine?
The IUPAC name of 3-(2-azabicyclo[2.2.2]octan-2-yl)-2-methylpropan-1-amine (CID 130594961) is 3-(2-azabicyclo[2.2.2]octan-2-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(2-azabicyclo[2.2.2]octan-2-yl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(2-azabicyclo[2.2.2]octan-2-yl)-2-methylpropan-1-amine is CC(CN)CN1CC2CCC1CC2.
What is the InChIKey of 3-(2-azabicyclo[2.2.2]octan-2-yl)-2-methylpropan-1-amine?
The InChIKey is PBHVJWIGTPICSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-9(6-12)7-13-8-10-2-4-11(13)5-3-10/h9-11H,2-8,12H2,1H3.
What are the key properties of 3-(2-azabicyclo[2.2.2]octan-2-yl)-2-methylpropan-1-amine?
3-(2-azabicyclo[2.2.2]octan-2-yl)-2-methylpropan-1-amine has a molecular weight of 182.31 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-azabicyclo[2.2.2]octan-2-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 130594961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).