2-amino-3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-1-ol

C13H29NO5 — CID 104567836

IUPAC2-amino-3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-1-ol
SMILESCCCCOCCOCCOCCOCC(N)CO
InChIInChI=1S/C13H29NO5/c1-2-3-4-16-5-6-17-7-8-18-9-10-19-12-13(14)11-15/h13,15H,2-12,14H2,1H3
InChIKeyUJKAIMCXNBFXAB-UHFFFAOYSA-N
MW279.38 g/mol
LogP0.17
Rot. Bonds15

About 2-amino-3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-1-ol

2-amino-3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-1-ol (PubChem CID 104567836) has the molecular formula C13H29NO5 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-amino-3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-1-ol.

Molecular Properties

Compound Name2-amino-3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-1-ol
PubChem CID104567836
Molecular FormulaC13H29NO5
Molecular Weight279.38 g/mol
Exact Mass279.20
IUPAC Name2-amino-3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-1-ol
SMILESCCCCOCCOCCOCCOCC(N)CO
InChIInChI=1S/C13H29NO5/c1-2-3-4-16-5-6-17-7-8-18-9-10-19-12-13(14)11-15/h13,15H,2-12,14H2,1H3
InChIKeyUJKAIMCXNBFXAB-UHFFFAOYSA-N
XLogP0.17
TPSA83.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-3-butoxypropan-1-ol
CID 89011091
2-amino-3-[2-(3-methoxypropoxy)ethoxy]propan-1-ol
CID 103181539
1-(2-butoxyethoxy)-3-methoxypropan-2-amine
CID 107506709
2-amino-3-[2-(2-methoxyethoxy)ethoxy]propan-1-ol
CID 112704571
2-amino-3-(3-hydroxypropoxy)propan-1-ol
CID 130579095
2-[2-(2-butoxyethoxy)ethoxy]ethane-1,1-diamine
CID 22901827
(2R)-1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-2-amine
CID 104560995
1-(2-butoxyethoxy)propan-2-amine
CID 43127528
(2R)-1-[2-(2-butoxyethoxy)ethoxy]-3-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-ol
CID 92518845
3-(2-butoxyethoxy)-2-(methylamino)propan-1-ol
CID 64804616
2-[2-(2-amino-2-butoxyethoxy)ethoxy]ethanol
CID 87459589
(2S)-1-(2-butoxyethoxy)-3-chloropropan-2-ol
CID 40610659

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-1-ol?
The IUPAC name of 2-amino-3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-1-ol (CID 104567836) is 2-amino-3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-1-ol.
What is the SMILES notation for 2-amino-3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-1-ol?
The canonical SMILES for 2-amino-3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-1-ol is CCCCOCCOCCOCCOCC(N)CO.
What is the InChIKey of 2-amino-3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-1-ol?
The InChIKey is UJKAIMCXNBFXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO5/c1-2-3-4-16-5-6-17-7-8-18-9-10-19-12-13(14)11-15/h13,15H,2-12,14H2,1H3.
What are the key properties of 2-amino-3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-1-ol?
2-amino-3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-1-ol has a molecular weight of 279.38 g/mol, XLogP of 0.17, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-1-ol is sourced from PubChem (CID 104567836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).