1-(4-methoxyoxan-4-yl)-3-(oxolan-2-yl)propan-1-amine

C13H25NO3 — CID 116764425

IUPAC1-(4-methoxyoxan-4-yl)-3-(oxolan-2-yl)propan-1-amine
SMILESCOC1(C(N)CCC2CCCO2)CCOCC1
InChIInChI=1S/C13H25NO3/c1-15-13(6-9-16-10-7-13)12(14)5-4-11-3-2-8-17-11/h11-12H,2-10,14H2,1H3
InChIKeyROGUHNGCIUDXMM-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.47
Rot. Bonds5

About 1-(4-methoxyoxan-4-yl)-3-(oxolan-2-yl)propan-1-amine

1-(4-methoxyoxan-4-yl)-3-(oxolan-2-yl)propan-1-amine (PubChem CID 116764425) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(4-methoxyoxan-4-yl)-3-(oxolan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(4-methoxyoxan-4-yl)-3-(oxolan-2-yl)propan-1-amine
PubChem CID116764425
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name1-(4-methoxyoxan-4-yl)-3-(oxolan-2-yl)propan-1-amine
SMILESCOC1(C(N)CCC2CCCO2)CCOCC1
InChIInChI=1S/C13H25NO3/c1-15-13(6-9-16-10-7-13)12(14)5-4-11-3-2-8-17-11/h11-12H,2-10,14H2,1H3
InChIKeyROGUHNGCIUDXMM-UHFFFAOYSA-N
XLogP1.47
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethoxy-4,4-dimethylcyclohexyl)-3-(oxolan-2-yl)propan-1-amine
CID 116768621
1-(1-methoxy-3-methylcyclohexyl)-4-(oxolan-2-yl)butan-1-amine
CID 116767606
1,5-bis(oxolan-2-yl)pentan-3-amine
CID 104993652
1-(1-ethylcyclopentyl)-3-(oxolan-2-yl)propan-1-amine
CID 104993713
1-(oxolan-2-yl)pentan-3-amine
CID 62549637
(2R)-4-[(2R)-oxolan-2-yl]butan-2-amine
CID 7380763
3-cyclopropyl-1-(1-methoxycyclohexyl)propan-1-amine
CID 116762659
1-methylsulfanyl-4-(oxolan-2-yl)butan-2-amine
CID 65164455
5,5,5-trifluoro-1-(4-methoxyoxan-4-yl)pentan-1-amine
CID 116764437
cyclopentyl-(4-methoxyoxan-4-yl)methanamine
CID 116764544
4-methyl-1-(oxolan-2-yl)heptan-3-amine
CID 104993629
3-(oxolan-2-yl)-1-(1-phenylcyclohexyl)propan-1-amine
CID 65164463

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyoxan-4-yl)-3-(oxolan-2-yl)propan-1-amine?
The IUPAC name of 1-(4-methoxyoxan-4-yl)-3-(oxolan-2-yl)propan-1-amine (CID 116764425) is 1-(4-methoxyoxan-4-yl)-3-(oxolan-2-yl)propan-1-amine.
What is the SMILES notation for 1-(4-methoxyoxan-4-yl)-3-(oxolan-2-yl)propan-1-amine?
The canonical SMILES for 1-(4-methoxyoxan-4-yl)-3-(oxolan-2-yl)propan-1-amine is COC1(C(N)CCC2CCCO2)CCOCC1.
What is the InChIKey of 1-(4-methoxyoxan-4-yl)-3-(oxolan-2-yl)propan-1-amine?
The InChIKey is ROGUHNGCIUDXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-15-13(6-9-16-10-7-13)12(14)5-4-11-3-2-8-17-11/h11-12H,2-10,14H2,1H3.
What are the key properties of 1-(4-methoxyoxan-4-yl)-3-(oxolan-2-yl)propan-1-amine?
1-(4-methoxyoxan-4-yl)-3-(oxolan-2-yl)propan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyoxan-4-yl)-3-(oxolan-2-yl)propan-1-amine is sourced from PubChem (CID 116764425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).