1-[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]-N-methylmethanamine

C8H17N3 — CID 97102843

IUPAC1-[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]-N-methylmethanamine
SMILESCNC[C@@H]1CN2CCN1CC2
InChIInChI=1S/C8H17N3/c1-9-6-8-7-10-2-4-11(8)5-3-10/h8-9H,2-7H2,1H3/t8-/m1/s1
InChIKeyXCUGOQMLNXKPTR-MRVPVSSYSA-N
MW155.25 g/mol
LogP-0.79
Rot. Bonds2

About 1-[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]-N-methylmethanamine

1-[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]-N-methylmethanamine (PubChem CID 97102843) has the molecular formula C8H17N3 and a molecular weight of 155.25 g/mol. Its IUPAC name is 1-[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]-N-methylmethanamine
PubChem CID97102843
Molecular FormulaC8H17N3
Molecular Weight155.25 g/mol
Exact Mass155.14
IUPAC Name1-[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]-N-methylmethanamine
SMILESCNC[C@@H]1CN2CCN1CC2
InChIInChI=1S/C8H17N3/c1-9-6-8-7-10-2-4-11(8)5-3-10/h8-9H,2-7H2,1H3/t8-/m1/s1
InChIKeyXCUGOQMLNXKPTR-MRVPVSSYSA-N
XLogP-0.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.25
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,5-diazabicyclo[3.2.2]nonan-6-ylmethyl)formamide
CID 131114990
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)thian-4-amine
CID 115750555
N-methyl-1-(1-methylaziridin-2-yl)methanamine
CID 117010139
(3S)-N-[[(2S)-1,4-diazabicyclo[2.2.2]octan-2-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 97106932
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-5-methylpyrimidin-2-amine
CID 133423726
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)prop-2-enamide
CID 130949482
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-(furan-3-ylmethyl)methanamine
CID 115750546
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)oxan-3-amine
CID 115895111
1-(1,4-dimethylpiperazin-2-yl)-N-methylmethanamine
CID 45099459
2-cyclohexyl-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)acetamide
CID 90567443
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-4-methylsulfinylbenzamide
CID 167951747
4-bromo-5-(1,4-diazabicyclo[2.2.2]octan-2-ylmethylamino)-2-methylpyridazin-3-one
CID 133399635

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]-N-methylmethanamine (CID 97102843) is 1-[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]-N-methylmethanamine is CNC[C@@H]1CN2CCN1CC2.
What is the InChIKey of 1-[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]-N-methylmethanamine?
The InChIKey is XCUGOQMLNXKPTR-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H17N3/c1-9-6-8-7-10-2-4-11(8)5-3-10/h8-9H,2-7H2,1H3/t8-/m1/s1.
What are the key properties of 1-[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]-N-methylmethanamine?
1-[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]-N-methylmethanamine has a molecular weight of 155.25 g/mol, XLogP of -0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]-N-methylmethanamine is sourced from PubChem (CID 97102843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).