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

C13H29NO5 — CID 104561134

IUPAC1-amino-3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-2-ol
SMILESCCCCOCCOCCOCCOCC(O)CN
InChIInChI=1S/C13H29NO5/c1-2-3-4-16-5-6-17-7-8-18-9-10-19-12-13(15)11-14/h13,15H,2-12,14H2,1H3
InChIKeyKAXODURDSGPTLK-UHFFFAOYSA-N
MW279.38 g/mol
LogP0.17
Rot. Bonds15

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

1-amino-3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-2-ol (PubChem CID 104561134) has the molecular formula C13H29NO5 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-amino-3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-2-ol.

Molecular Properties

Compound Name1-amino-3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-2-ol
PubChem CID104561134
Molecular FormulaC13H29NO5
Molecular Weight279.38 g/mol
Exact Mass279.20
IUPAC Name1-amino-3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-2-ol
SMILESCCCCOCCOCCOCCOCC(O)CN
InChIInChI=1S/C13H29NO5/c1-2-3-4-16-5-6-17-7-8-18-9-10-19-12-13(15)11-14/h13,15H,2-12,14H2,1H3
InChIKeyKAXODURDSGPTLK-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

(2R)-1-amino-3-butoxypropan-2-ol
CID 34176667
1-amino-3-heptoxypropan-2-ol
CID 43128013
(2R)-1-[2-(2-butoxyethoxy)ethoxy]-3-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-ol
CID 92518845
1-(2-butoxyethoxy)-4-[4-(2-butoxyethoxy)-3-hydroxybutoxy]butan-2-ol
CID 91607283
(2S)-1-(2-butoxyethoxy)-3-chloropropan-2-ol
CID 40610659
(2R)-1-hexoxy-3-[2-(2-hexoxyethoxy)ethoxy]propan-2-ol
CID 40535127
(2R)-1-butoxybutan-2-ol
CID 27255938
4-(2-butoxyethoxy)butane-1,3-diol
CID 174811578
(2R)-1-butoxy-3-methoxypropan-2-ol
CID 89035731
(2S)-1-butoxy-3-chloropropan-2-ol
CID 36688277
3-butoxy-2-fluoropropan-1-amine
CID 155690317
1-(2-butoxyethoxy)-3-(2-butoxyethylamino)propan-2-ol
CID 61171086

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-2-ol?
The IUPAC name of 1-amino-3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-2-ol (CID 104561134) is 1-amino-3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-2-ol.
What is the SMILES notation for 1-amino-3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-2-ol?
The canonical SMILES for 1-amino-3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-2-ol is CCCCOCCOCCOCCOCC(O)CN.
What is the InChIKey of 1-amino-3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-2-ol?
The InChIKey is KAXODURDSGPTLK-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(15)11-14/h13,15H,2-12,14H2,1H3.
What are the key properties of 1-amino-3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-2-ol?
1-amino-3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-2-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 1-amino-3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-2-ol is sourced from PubChem (CID 104561134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).