(1S,4R,6S)-2-methyl-2-azabicyclo[2.2.2]octan-6-amine

C8H16N2 — CID 129230741

IUPAC(1S,4R,6S)-2-methyl-2-azabicyclo[2.2.2]octan-6-amine
SMILESCN1C[C@@H]2CC[C@H]1[C@@H](N)C2
InChIInChI=1S/C8H16N2/c1-10-5-6-2-3-8(10)7(9)4-6/h6-8H,2-5,9H2,1H3/t6-,7+,8+/m1/s1
InChIKeyUWXQHWISDZPGAA-CSMHCCOUSA-N
MW140.23 g/mol
LogP0.43
Rot. Bonds

About (1S,4R,6S)-2-methyl-2-azabicyclo[2.2.2]octan-6-amine

(1S,4R,6S)-2-methyl-2-azabicyclo[2.2.2]octan-6-amine (PubChem CID 129230741) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (1S,4R,6S)-2-methyl-2-azabicyclo[2.2.2]octan-6-amine.

Molecular Properties

Compound Name(1S,4R,6S)-2-methyl-2-azabicyclo[2.2.2]octan-6-amine
PubChem CID129230741
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(1S,4R,6S)-2-methyl-2-azabicyclo[2.2.2]octan-6-amine
SMILESCN1C[C@@H]2CC[C@H]1[C@@H](N)C2
InChIInChI=1S/C8H16N2/c1-10-5-6-2-3-8(10)7(9)4-6/h6-8H,2-5,9H2,1H3/t6-,7+,8+/m1/s1
InChIKeyUWXQHWISDZPGAA-CSMHCCOUSA-N
XLogP0.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-azabicyclo[2.2.2]octan-6-amine
CID 55285034
(1R,3R)-6-methyl-6-azabicyclo[3.2.2]nonan-3-amine
CID 129230742
2-methyl-N-propan-2-yl-2-azabicyclo[2.2.2]octan-6-amine
CID 130857179
tert-butyl (1S,4S,6S)-6-amino-2-azabicyclo[2.2.2]octane-2-carboxylate
CID 124566027
tert-butyl (1R,4S,6S)-6-amino-2-azabicyclo[2.2.2]octane-2-carboxylate
CID 118876806
3-methyl-4-(2-methyl-2-azabicyclo[2.2.2]octan-6-yl)-1,2,5-oxadiazole
CID 163860940
2-propan-2-yl-2-azabicyclo[2.2.1]heptan-6-amine
CID 129231151
2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane
CID 158361324
(1S,6R)-2-propan-2-yl-2-azabicyclo[2.2.1]heptan-6-amine
CID 155648652
6-[[8-(1-azabicyclo[3.2.1]octan-2-yl)-2-azabicyclo[3.2.1]octan-2-yl]methyl]-2-methyl-2-azabicyclo[2.2.2]octane
CID 167174300
(1R,4S,6S)-2-methyl-2-azabicyclo[2.2.1]heptan-6-ol
CID 15669541
bicyclo[2.2.2]octan-2-amine
CID 13239288

Frequently Asked Questions

What is the IUPAC name of (1S,4R,6S)-2-methyl-2-azabicyclo[2.2.2]octan-6-amine?
The IUPAC name of (1S,4R,6S)-2-methyl-2-azabicyclo[2.2.2]octan-6-amine (CID 129230741) is (1S,4R,6S)-2-methyl-2-azabicyclo[2.2.2]octan-6-amine.
What is the SMILES notation for (1S,4R,6S)-2-methyl-2-azabicyclo[2.2.2]octan-6-amine?
The canonical SMILES for (1S,4R,6S)-2-methyl-2-azabicyclo[2.2.2]octan-6-amine is CN1C[C@@H]2CC[C@H]1[C@@H](N)C2.
What is the InChIKey of (1S,4R,6S)-2-methyl-2-azabicyclo[2.2.2]octan-6-amine?
The InChIKey is UWXQHWISDZPGAA-CSMHCCOUSA-N. The full InChI is InChI=1S/C8H16N2/c1-10-5-6-2-3-8(10)7(9)4-6/h6-8H,2-5,9H2,1H3/t6-,7+,8+/m1/s1.
What are the key properties of (1S,4R,6S)-2-methyl-2-azabicyclo[2.2.2]octan-6-amine?
(1S,4R,6S)-2-methyl-2-azabicyclo[2.2.2]octan-6-amine has a molecular weight of 140.23 g/mol, XLogP of 0.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R,6S)-2-methyl-2-azabicyclo[2.2.2]octan-6-amine is sourced from PubChem (CID 129230741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).