3-(3-methoxy-3-methylbutoxy)oxan-4-amine

C11H23NO3 — CID 106665295

IUPAC3-(3-methoxy-3-methylbutoxy)oxan-4-amine
SMILESCOC(C)(C)CCOC1COCCC1N
InChIInChI=1S/C11H23NO3/c1-11(2,13-3)5-7-15-10-8-14-6-4-9(10)12/h9-10H,4-8,12H2,1-3H3
InChIKeyZKOZHMKFPXYRHQ-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.93
Rot. Bonds5

About 3-(3-methoxy-3-methylbutoxy)oxan-4-amine

3-(3-methoxy-3-methylbutoxy)oxan-4-amine (PubChem CID 106665295) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-(3-methoxy-3-methylbutoxy)oxan-4-amine.

Molecular Properties

Compound Name3-(3-methoxy-3-methylbutoxy)oxan-4-amine
PubChem CID106665295
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name3-(3-methoxy-3-methylbutoxy)oxan-4-amine
SMILESCOC(C)(C)CCOC1COCCC1N
InChIInChI=1S/C11H23NO3/c1-11(2,13-3)5-7-15-10-8-14-6-4-9(10)12/h9-10H,4-8,12H2,1-3H3
InChIKeyZKOZHMKFPXYRHQ-UHFFFAOYSA-N
XLogP0.93
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4R)-3-methoxyoxan-4-amine;hydrochloride
CID 122235837
3-(3-methoxy-3-methylbutyl)oxan-4-ol
CID 106471274
5-methoxy-5-methyl-2-(oxolan-3-yl)hexan-2-ol
CID 103035277
3-(3,3-dimethylbutoxy)-N-propyloxan-4-amine
CID 66232235
3-(2-methylpentoxy)oxan-4-amine
CID 103283394
[(3R,4S)-3-methoxyoxan-4-yl]methanamine
CID 67314237
[4-methoxy-4-methyl-1-(oxolan-3-yl)pentyl]hydrazine
CID 103026580
3-(3-methoxy-3-methylbutyl)-N-propyloxan-4-amine
CID 106469455
4-(3-methoxy-3-methylbutoxy)piperidine
CID 59527126
3-phenylmethoxyoxan-4-amine;hydrochloride
CID 154733293
2-(3,3-dimethylbutoxy)cyclooctan-1-amine
CID 66232018
5-(3-methoxy-3-methylbutoxy)-N,2,2-trimethylcyclopentan-1-amine
CID 106665417

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-3-methylbutoxy)oxan-4-amine?
The IUPAC name of 3-(3-methoxy-3-methylbutoxy)oxan-4-amine (CID 106665295) is 3-(3-methoxy-3-methylbutoxy)oxan-4-amine.
What is the SMILES notation for 3-(3-methoxy-3-methylbutoxy)oxan-4-amine?
The canonical SMILES for 3-(3-methoxy-3-methylbutoxy)oxan-4-amine is COC(C)(C)CCOC1COCCC1N.
What is the InChIKey of 3-(3-methoxy-3-methylbutoxy)oxan-4-amine?
The InChIKey is ZKOZHMKFPXYRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-11(2,13-3)5-7-15-10-8-14-6-4-9(10)12/h9-10H,4-8,12H2,1-3H3.
What are the key properties of 3-(3-methoxy-3-methylbutoxy)oxan-4-amine?
3-(3-methoxy-3-methylbutoxy)oxan-4-amine has a molecular weight of 217.31 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-3-methylbutoxy)oxan-4-amine is sourced from PubChem (CID 106665295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).