3-methoxyoxan-4-amine

C6H13NO2 — CID 43608858

IUPAC3-methoxyoxan-4-amine
SMILESCOC1COCCC1N
InChIInChI=1S/C6H13NO2/c1-8-6-4-9-3-2-5(6)7/h5-6H,2-4,7H2,1H3
InChIKeyOHVYRLNUMZHWIK-UHFFFAOYSA-N
MW131.18 g/mol
LogP-0.25
Rot. Bonds1

About 3-methoxyoxan-4-amine

3-methoxyoxan-4-amine (PubChem CID 43608858) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is 3-methoxyoxan-4-amine.

Molecular Properties

Compound Name3-methoxyoxan-4-amine
PubChem CID43608858
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name3-methoxyoxan-4-amine
SMILESCOC1COCCC1N
InChIInChI=1S/C6H13NO2/c1-8-6-4-9-3-2-5(6)7/h5-6H,2-4,7H2,1H3
InChIKeyOHVYRLNUMZHWIK-UHFFFAOYSA-N
XLogP-0.25
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-N-methyloxan-4-amine
CID 61755910
rac-(3R,4S)-3-methoxyoxan-4-amine hydrochloride
CID 122235837
trans-4-Amino-3-(methoxy)tetrahydropyran
CID 54857356
1-(1,4-Dioxan-2-yl)propan-1-amine
CID 65351037
1-(1,4-Dioxan-2-yl)ethan-1-amine hydrochloride
CID 137943496
1-(1,4-Dioxan-2-yl)ethan-1-amine
CID 54499564
3-(2,2,2-Trifluoroethoxy)oxan-4-amine
CID 61064375
3-(2,2,3,3-Tetrafluoropropoxy)oxan-4-amine
CID 61065970
3-(1,1,1-Trifluoropropan-2-yloxy)oxan-4-amine
CID 66275650
3-(2,2-Difluoroethoxy)oxan-4-amine
CID 82004743
3-(4,4,4-Trifluorobutoxy)oxan-4-amine
CID 82788899
3-(3,3,3-Trifluoropropoxy)oxan-4-amine
CID 82956611

Frequently Asked Questions

What is the IUPAC name of 3-methoxyoxan-4-amine?
The IUPAC name of 3-methoxyoxan-4-amine (CID 43608858) is 3-methoxyoxan-4-amine.
What is the SMILES notation for 3-methoxyoxan-4-amine?
The canonical SMILES for 3-methoxyoxan-4-amine is COC1COCCC1N.
What is the InChIKey of 3-methoxyoxan-4-amine?
The InChIKey is OHVYRLNUMZHWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-8-6-4-9-3-2-5(6)7/h5-6H,2-4,7H2,1H3.
What are the key properties of 3-methoxyoxan-4-amine?
3-methoxyoxan-4-amine has a molecular weight of 131.18 g/mol, XLogP of -0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxyoxan-4-amine is sourced from PubChem (CID 43608858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).