3-(oxan-2-yloxy)-4-propoxybutan-1-amine

C12H25NO3 — CID 23468125

IUPAC3-(oxan-2-yloxy)-4-propoxybutan-1-amine
SMILESCCCOCC(CCN)OC1CCCCO1
InChIInChI=1S/C12H25NO3/c1-2-8-14-10-11(6-7-13)16-12-5-3-4-9-15-12/h11-12H,2-10,13H2,1H3
InChIKeyBUTBJCUJAZOTDF-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.67
Rot. Bonds8

About 3-(oxan-2-yloxy)-4-propoxybutan-1-amine

3-(oxan-2-yloxy)-4-propoxybutan-1-amine (PubChem CID 23468125) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-(oxan-2-yloxy)-4-propoxybutan-1-amine.

Molecular Properties

Compound Name3-(oxan-2-yloxy)-4-propoxybutan-1-amine
PubChem CID23468125
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name3-(oxan-2-yloxy)-4-propoxybutan-1-amine
SMILESCCCOCC(CCN)OC1CCCCO1
InChIInChI=1S/C12H25NO3/c1-2-8-14-10-11(6-7-13)16-12-5-3-4-9-15-12/h11-12H,2-10,13H2,1H3
InChIKeyBUTBJCUJAZOTDF-UHFFFAOYSA-N
XLogP1.67
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-[(2R)-oxan-2-yl]oxybutan-1-amine
CID 98010101
2-[(3R)-octan-3-yl]oxyoxane
CID 145000966
2-[1,3-bis(but-3-enoxy)propan-2-yloxy]oxane
CID 177262162
(3S)-3-(oxan-2-yloxy)hexan-1-ol
CID 67829431
(4R)-4-(oxan-2-yloxy)nonanal
CID 54007361
2-hept-1-yn-3-yloxyoxane
CID 558910
3-[3-(2-hydroxy-3-methoxypropoxy)-2-(oxan-2-yloxy)propoxy]propanenitrile
CID 177118299
2-[[(2R)-3-(6-aminohexoxy)-2-(oxan-2-yloxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
CID 10622969
2-[[3-heptoxy-2-(oxan-2-yloxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
CID 59440780
2-[(E,4R)-dodec-2-en-4-yl]oxyoxane
CID 102392946
hydrazine;2-[(2R)-2-methylbutoxy]oxane;(3R)-3-methyl-4-(oxan-2-yloxy)butan-1-amine;hydrate
CID 158281779
2-hept-1-en-3-yloxyoxane
CID 20796050

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-2-yloxy)-4-propoxybutan-1-amine?
The IUPAC name of 3-(oxan-2-yloxy)-4-propoxybutan-1-amine (CID 23468125) is 3-(oxan-2-yloxy)-4-propoxybutan-1-amine.
What is the SMILES notation for 3-(oxan-2-yloxy)-4-propoxybutan-1-amine?
The canonical SMILES for 3-(oxan-2-yloxy)-4-propoxybutan-1-amine is CCCOCC(CCN)OC1CCCCO1.
What is the InChIKey of 3-(oxan-2-yloxy)-4-propoxybutan-1-amine?
The InChIKey is BUTBJCUJAZOTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-2-8-14-10-11(6-7-13)16-12-5-3-4-9-15-12/h11-12H,2-10,13H2,1H3.
What are the key properties of 3-(oxan-2-yloxy)-4-propoxybutan-1-amine?
3-(oxan-2-yloxy)-4-propoxybutan-1-amine has a molecular weight of 231.34 g/mol, XLogP of 1.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-2-yloxy)-4-propoxybutan-1-amine is sourced from PubChem (CID 23468125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).