[(1R,4S,5R,7S)-1,4-dimethyl-6,8-dioxabicyclo[3.2.1]octan-7-yl]methanamine

C9H17NO2 — CID 98564259

IUPAC[(1R,4S,5R,7S)-1,4-dimethyl-6,8-dioxabicyclo[3.2.1]octan-7-yl]methanamine
SMILESC[C@H]1CC[C@@]2(C)O[C@H]1O[C@H]2CN
InChIInChI=1S/C9H17NO2/c1-6-3-4-9(2)7(5-10)11-8(6)12-9/h6-8H,3-5,10H2,1-2H3/t6-,7-,8+,9+/m0/s1
InChIKeyXRDWVBBKCJMFQU-RBXMUDONSA-N
MW171.24 g/mol
LogP0.88
Rot. Bonds1

About [(1R,4S,5R,7S)-1,4-dimethyl-6,8-dioxabicyclo[3.2.1]octan-7-yl]methanamine

[(1R,4S,5R,7S)-1,4-dimethyl-6,8-dioxabicyclo[3.2.1]octan-7-yl]methanamine (PubChem CID 98564259) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is [(1R,4S,5R,7S)-1,4-dimethyl-6,8-dioxabicyclo[3.2.1]octan-7-yl]methanamine.

Molecular Properties

Compound Name[(1R,4S,5R,7S)-1,4-dimethyl-6,8-dioxabicyclo[3.2.1]octan-7-yl]methanamine
PubChem CID98564259
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name[(1R,4S,5R,7S)-1,4-dimethyl-6,8-dioxabicyclo[3.2.1]octan-7-yl]methanamine
SMILESC[C@H]1CC[C@@]2(C)O[C@H]1O[C@H]2CN
InChIInChI=1S/C9H17NO2/c1-6-3-4-9(2)7(5-10)11-8(6)12-9/h6-8H,3-5,10H2,1-2H3/t6-,7-,8+,9+/m0/s1
InChIKeyXRDWVBBKCJMFQU-RBXMUDONSA-N
XLogP0.88
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(1R,4S,5R,7S)-1,4-dimethyl-6,8-dioxabicyclo[3.2.1]octan-7-yl]methanamine with MolForge

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Related Compounds

2-(5-cyclobutyl-5-methyloxolan-2-yl)ethanamine
CID 130690656
[5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine
CID 2829039
(2,2,6,7-tetramethylspiro[2.5]octan-1-yl)methanamine
CID 130488637
[1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpyrrolidin-2-yl]methanamine
CID 102784429
[(1R)-2,2,3,3-tetramethylcyclopentyl]methanamine
CID 58477002
[3,4-dimethyl-1-(2,2,6-trimethylmorpholin-4-yl)cyclohexyl]methanamine
CID 64745449
(1R,5S,6R,8R)-6-(aminomethyl)-2,7-dioxabicyclo[3.2.1]octane-5,8-diol
CID 130940266
[(6R)-5-methylspiro[2.4]heptan-6-yl]methanamine
CID 163488510
(1R,5R,6S)-1,5-dimethyl-7-oxabicyclo[4.1.0]heptane
CID 10877125
[(2S,3R,6R)-3,6-dimethyloxan-2-yl]methanamine
CID 163867395
[(1S,2R,6S,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methanamine
CID 7057290
(E)-5-(5,5-dimethyloxolan-2-yl)pent-3-en-1-amine
CID 116525385

Frequently Asked Questions

What is the IUPAC name of [(1R,4S,5R,7S)-1,4-dimethyl-6,8-dioxabicyclo[3.2.1]octan-7-yl]methanamine?
The IUPAC name of [(1R,4S,5R,7S)-1,4-dimethyl-6,8-dioxabicyclo[3.2.1]octan-7-yl]methanamine (CID 98564259) is [(1R,4S,5R,7S)-1,4-dimethyl-6,8-dioxabicyclo[3.2.1]octan-7-yl]methanamine.
What is the SMILES notation for [(1R,4S,5R,7S)-1,4-dimethyl-6,8-dioxabicyclo[3.2.1]octan-7-yl]methanamine?
The canonical SMILES for [(1R,4S,5R,7S)-1,4-dimethyl-6,8-dioxabicyclo[3.2.1]octan-7-yl]methanamine is C[C@H]1CC[C@@]2(C)O[C@H]1O[C@H]2CN.
What is the InChIKey of [(1R,4S,5R,7S)-1,4-dimethyl-6,8-dioxabicyclo[3.2.1]octan-7-yl]methanamine?
The InChIKey is XRDWVBBKCJMFQU-RBXMUDONSA-N. The full InChI is InChI=1S/C9H17NO2/c1-6-3-4-9(2)7(5-10)11-8(6)12-9/h6-8H,3-5,10H2,1-2H3/t6-,7-,8+,9+/m0/s1.
What are the key properties of [(1R,4S,5R,7S)-1,4-dimethyl-6,8-dioxabicyclo[3.2.1]octan-7-yl]methanamine?
[(1R,4S,5R,7S)-1,4-dimethyl-6,8-dioxabicyclo[3.2.1]octan-7-yl]methanamine has a molecular weight of 171.24 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S,5R,7S)-1,4-dimethyl-6,8-dioxabicyclo[3.2.1]octan-7-yl]methanamine is sourced from PubChem (CID 98564259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).