(1S,2R,3R,5R)-2-(methoxymethyl)-6,6-dimethylbicyclo[3.1.1]heptan-3-amine

C11H21NO — CID 59574432

IUPAC(1S,2R,3R,5R)-2-(methoxymethyl)-6,6-dimethylbicyclo[3.1.1]heptan-3-amine
SMILESCOC[C@H]1[C@H](N)C[C@H]2C[C@@H]1C2(C)C
InChIInChI=1S/C11H21NO/c1-11(2)7-4-9(11)8(6-13-3)10(12)5-7/h7-10H,4-6,12H2,1-3H3/t7-,8-,9+,10-/m1/s1
InChIKeyBECGVXOLVITODV-DOLQZWNJSA-N
MW183.29 g/mol
LogP1.64
Rot. Bonds2

About (1S,2R,3R,5R)-2-(methoxymethyl)-6,6-dimethylbicyclo[3.1.1]heptan-3-amine

(1S,2R,3R,5R)-2-(methoxymethyl)-6,6-dimethylbicyclo[3.1.1]heptan-3-amine (PubChem CID 59574432) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (1S,2R,3R,5R)-2-(methoxymethyl)-6,6-dimethylbicyclo[3.1.1]heptan-3-amine.

Molecular Properties

Compound Name(1S,2R,3R,5R)-2-(methoxymethyl)-6,6-dimethylbicyclo[3.1.1]heptan-3-amine
PubChem CID59574432
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(1S,2R,3R,5R)-2-(methoxymethyl)-6,6-dimethylbicyclo[3.1.1]heptan-3-amine
SMILESCOC[C@H]1[C@H](N)C[C@H]2C[C@@H]1C2(C)C
InChIInChI=1S/C11H21NO/c1-11(2)7-4-9(11)8(6-13-3)10(12)5-7/h7-10H,4-6,12H2,1-3H3/t7-,8-,9+,10-/m1/s1
InChIKeyBECGVXOLVITODV-DOLQZWNJSA-N
XLogP1.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,2R,3R,5R)-2-(methoxymethyl)-6,6-dimethylbicyclo[3.1.1]heptan-3-amine with MolForge

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Related Compounds

(1R)-1-[(1R,2S,3S,5R)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]-2-methylpropan-1-ol
CID 25052814
2-[(1R,2R,3R,5S)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]ethanol
CID 10990400
2-(2-Amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl)ethanol
CID 14396107
2-[(1S,2R,3R,5R)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]ethanol
CID 15450536
2-[(1S,2R,3S,5R)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]ethanol
CID 15450537
2-[(1S,2S,3S,5R)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]ethanol
CID 15450538
2-[(1R,2S,3S,5S)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]ethanol
CID 21969324
2-[(1R,2R,3S,5S)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]ethanol
CID 54183657
(1R)-1-[(1R,3S,5S)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]ethanol
CID 57131300
(1S)-1-[(1R,3S,5S)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]ethanol
CID 57245812
[(1S,2R,3R,5R)-3-(2-hydroxyethyl)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]azanium
CID 58861546
(1S,2R,3R,5R)-3-(2-methoxyethyl)-6,6-dimethylbicyclo[3.1.1]heptan-2-amine
CID 58974259

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3R,5R)-2-(methoxymethyl)-6,6-dimethylbicyclo[3.1.1]heptan-3-amine?
The IUPAC name of (1S,2R,3R,5R)-2-(methoxymethyl)-6,6-dimethylbicyclo[3.1.1]heptan-3-amine (CID 59574432) is (1S,2R,3R,5R)-2-(methoxymethyl)-6,6-dimethylbicyclo[3.1.1]heptan-3-amine.
What is the SMILES notation for (1S,2R,3R,5R)-2-(methoxymethyl)-6,6-dimethylbicyclo[3.1.1]heptan-3-amine?
The canonical SMILES for (1S,2R,3R,5R)-2-(methoxymethyl)-6,6-dimethylbicyclo[3.1.1]heptan-3-amine is COC[C@H]1[C@H](N)C[C@H]2C[C@@H]1C2(C)C.
What is the InChIKey of (1S,2R,3R,5R)-2-(methoxymethyl)-6,6-dimethylbicyclo[3.1.1]heptan-3-amine?
The InChIKey is BECGVXOLVITODV-DOLQZWNJSA-N. The full InChI is InChI=1S/C11H21NO/c1-11(2)7-4-9(11)8(6-13-3)10(12)5-7/h7-10H,4-6,12H2,1-3H3/t7-,8-,9+,10-/m1/s1.
What are the key properties of (1S,2R,3R,5R)-2-(methoxymethyl)-6,6-dimethylbicyclo[3.1.1]heptan-3-amine?
(1S,2R,3R,5R)-2-(methoxymethyl)-6,6-dimethylbicyclo[3.1.1]heptan-3-amine has a molecular weight of 183.29 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3R,5R)-2-(methoxymethyl)-6,6-dimethylbicyclo[3.1.1]heptan-3-amine is sourced from PubChem (CID 59574432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).