1-(2-methoxyethoxy)-3-[4-(2-methoxyethoxy)butylamino]propan-2-ol

C13H29NO5 — CID 106990471

IUPAC1-(2-methoxyethoxy)-3-[4-(2-methoxyethoxy)butylamino]propan-2-ol
SMILESCOCCOCCCCNCC(O)COCCOC
InChIInChI=1S/C13H29NO5/c1-16-7-9-18-6-4-3-5-14-11-13(15)12-19-10-8-17-2/h13-15H,3-12H2,1-2H3
InChIKeyBHTSLTJWMXMWSU-UHFFFAOYSA-N
MW279.38 g/mol
LogP0.04
Rot. Bonds15

About 1-(2-methoxyethoxy)-3-[4-(2-methoxyethoxy)butylamino]propan-2-ol

1-(2-methoxyethoxy)-3-[4-(2-methoxyethoxy)butylamino]propan-2-ol (PubChem CID 106990471) has the molecular formula C13H29NO5 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)-3-[4-(2-methoxyethoxy)butylamino]propan-2-ol.

Molecular Properties

Compound Name1-(2-methoxyethoxy)-3-[4-(2-methoxyethoxy)butylamino]propan-2-ol
PubChem CID106990471
Molecular FormulaC13H29NO5
Molecular Weight279.38 g/mol
Exact Mass279.20
IUPAC Name1-(2-methoxyethoxy)-3-[4-(2-methoxyethoxy)butylamino]propan-2-ol
SMILESCOCCOCCCCNCC(O)COCCOC
InChIInChI=1S/C13H29NO5/c1-16-7-9-18-6-4-3-5-14-11-13(15)12-19-10-8-17-2/h13-15H,3-12H2,1-2H3
InChIKeyBHTSLTJWMXMWSU-UHFFFAOYSA-N
XLogP0.04
TPSA69.18 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 ≤ 50.04
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

1-(4-methoxybutylamino)-3-(4-methylpentoxy)propan-2-ol
CID 60971092
1-ethoxy-3-(4-methoxybutylamino)propan-2-ol
CID 63933667
4-(2-methoxyethoxy)-N-(2-methylpropyl)butan-1-amine
CID 62456720
1-methoxy-3-[3-(2-methylpropoxy)propylamino]propan-2-ol
CID 103931685
1-(2-butoxyethoxy)-3-(2-butoxyethylamino)propan-2-ol
CID 61171086
1-(2-methoxyethoxy)-3-(3,3,3-trifluoropropylamino)propan-2-ol
CID 106989915
(2R)-1-[2-[[(2S)-2-hydroxy-3-pentoxypropyl]amino]ethylamino]-3-pentoxypropan-2-ol
CID 92765334
1-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]butan-2-ol
CID 106990539
1-(2-methoxyethoxy)-3-(3-phenoxypropylamino)propan-2-ol
CID 106989841
1-(2-methoxyethoxy)-3-(prop-2-enylamino)propan-2-ol
CID 106988982
1-(2-ethoxyethoxy)-3-(pentylamino)propan-2-ol
CID 60632874
1-methoxy-3-[3-(2-methoxyethoxy)propoxy]propan-2-ol
CID 107508453

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)-3-[4-(2-methoxyethoxy)butylamino]propan-2-ol?
The IUPAC name of 1-(2-methoxyethoxy)-3-[4-(2-methoxyethoxy)butylamino]propan-2-ol (CID 106990471) is 1-(2-methoxyethoxy)-3-[4-(2-methoxyethoxy)butylamino]propan-2-ol.
What is the SMILES notation for 1-(2-methoxyethoxy)-3-[4-(2-methoxyethoxy)butylamino]propan-2-ol?
The canonical SMILES for 1-(2-methoxyethoxy)-3-[4-(2-methoxyethoxy)butylamino]propan-2-ol is COCCOCCCCNCC(O)COCCOC.
What is the InChIKey of 1-(2-methoxyethoxy)-3-[4-(2-methoxyethoxy)butylamino]propan-2-ol?
The InChIKey is BHTSLTJWMXMWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO5/c1-16-7-9-18-6-4-3-5-14-11-13(15)12-19-10-8-17-2/h13-15H,3-12H2,1-2H3.
What are the key properties of 1-(2-methoxyethoxy)-3-[4-(2-methoxyethoxy)butylamino]propan-2-ol?
1-(2-methoxyethoxy)-3-[4-(2-methoxyethoxy)butylamino]propan-2-ol has a molecular weight of 279.38 g/mol, XLogP of 0.04, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)-3-[4-(2-methoxyethoxy)butylamino]propan-2-ol is sourced from PubChem (CID 106990471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).