1-(2-butoxyethoxy)-3-methoxypropan-2-amine

C10H23NO3 — CID 107506709

IUPAC1-(2-butoxyethoxy)-3-methoxypropan-2-amine
SMILESCCCCOCCOCC(N)COC
InChIInChI=1S/C10H23NO3/c1-3-4-5-13-6-7-14-9-10(11)8-12-2/h10H,3-9,11H2,1-2H3
InChIKeyIAGVQBDEFLDRJG-UHFFFAOYSA-N
MW205.30 g/mol
LogP0.79
Rot. Bonds10

About 1-(2-butoxyethoxy)-3-methoxypropan-2-amine

1-(2-butoxyethoxy)-3-methoxypropan-2-amine (PubChem CID 107506709) has the molecular formula C10H23NO3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-(2-butoxyethoxy)-3-methoxypropan-2-amine.

Molecular Properties

Compound Name1-(2-butoxyethoxy)-3-methoxypropan-2-amine
PubChem CID107506709
Molecular FormulaC10H23NO3
Molecular Weight205.30 g/mol
Exact Mass205.17
IUPAC Name1-(2-butoxyethoxy)-3-methoxypropan-2-amine
SMILESCCCCOCCOCC(N)COC
InChIInChI=1S/C10H23NO3/c1-3-4-5-13-6-7-14-9-10(11)8-12-2/h10H,3-9,11H2,1-2H3
InChIKeyIAGVQBDEFLDRJG-UHFFFAOYSA-N
XLogP0.79
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 50.79
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

1-methoxy-3-pentoxypropan-2-amine
CID 107506771
2-amino-3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-1-ol
CID 104567836
2-[2-(2-butoxyethoxy)ethoxy]ethane-1,1-diamine
CID 22901827
1-(2-butoxyethoxy)propan-2-amine
CID 43127528
(2R)-1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-2-amine
CID 104560995
(2S)-2-amino-3-butoxypropan-1-ol
CID 89011091
1-[3-(2-aminoethoxy)propoxy]-3-tetradecoxypropan-2-amine
CID 141280671
1-[2-(2-butoxyethoxy)ethoxy]butane;1-methoxybutane
CID 174801496
1-[2-(2-butoxyethoxy)ethoxy]hexan-3-amine
CID 104568410
2-amino-3-[2-(3-methoxypropoxy)ethoxy]propan-1-ol
CID 103181539
(2R)-1-[2-(2-butoxyethoxy)ethoxy]-3-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-ol
CID 92518845
(2S)-1-butoxy-3-methoxy-2-methylpropane
CID 90383590

Frequently Asked Questions

What is the IUPAC name of 1-(2-butoxyethoxy)-3-methoxypropan-2-amine?
The IUPAC name of 1-(2-butoxyethoxy)-3-methoxypropan-2-amine (CID 107506709) is 1-(2-butoxyethoxy)-3-methoxypropan-2-amine.
What is the SMILES notation for 1-(2-butoxyethoxy)-3-methoxypropan-2-amine?
The canonical SMILES for 1-(2-butoxyethoxy)-3-methoxypropan-2-amine is CCCCOCCOCC(N)COC.
What is the InChIKey of 1-(2-butoxyethoxy)-3-methoxypropan-2-amine?
The InChIKey is IAGVQBDEFLDRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3/c1-3-4-5-13-6-7-14-9-10(11)8-12-2/h10H,3-9,11H2,1-2H3.
What are the key properties of 1-(2-butoxyethoxy)-3-methoxypropan-2-amine?
1-(2-butoxyethoxy)-3-methoxypropan-2-amine has a molecular weight of 205.30 g/mol, XLogP of 0.79, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxyethoxy)-3-methoxypropan-2-amine is sourced from PubChem (CID 107506709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).