1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butan-2-ol

C14H29NO5 — CID 129310449

IUPAC1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butan-2-ol
SMILESCCC(O)CN1CCOCCOCCOCCOCC1
InChIInChI=1S/C14H29NO5/c1-2-14(16)13-15-3-5-17-7-9-19-11-12-20-10-8-18-6-4-15/h14,16H,2-13H2,1H3
InChIKeyGHYCYQVVLMBQRI-UHFFFAOYSA-N
MW291.39 g/mol
LogP0.14
Rot. Bonds3

About 1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butan-2-ol

1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butan-2-ol (PubChem CID 129310449) has the molecular formula C14H29NO5 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butan-2-ol.

Molecular Properties

Compound Name1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butan-2-ol
PubChem CID129310449
Molecular FormulaC14H29NO5
Molecular Weight291.39 g/mol
Exact Mass291.20
IUPAC Name1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butan-2-ol
SMILESCCC(O)CN1CCOCCOCCOCCOCC1
InChIInChI=1S/C14H29NO5/c1-2-14(16)13-15-3-5-17-7-9-19-11-12-20-10-8-18-6-4-15/h14,16H,2-13H2,1H3
InChIKeyGHYCYQVVLMBQRI-UHFFFAOYSA-N
XLogP0.14
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-3-morpholin-4-ylpropane-1,2-diol
CID 1268043
1-morpholin-4-ylheptan-2-ol
CID 15312312
1-chloro-3-morpholin-4-ylpropan-2-ol
CID 10080987
(2S)-1-(methylamino)-3-morpholin-4-ylpropan-2-ol
CID 7201085
(2R)-1-morpholin-4-ylnonan-2-ol
CID 15188058
1-(azonan-1-yl)butan-2-ol
CID 130671766
1-(3-methylpentan-3-ylamino)-3-morpholin-4-ylpropan-2-ol
CID 113296449
1-[methyl(propyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 110909710
ethane;4-(2-methylbutyl)morpholine
CID 142525427
3-hydroxy-4-morpholin-4-ylbutanoic acid
CID 79006775
1-(2-methylmorpholin-4-yl)butan-2-ol
CID 60886313
[(2S)-2-hydroxy-3-morpholin-4-ylpropyl] acetate
CID 71177850

Frequently Asked Questions

What is the IUPAC name of 1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butan-2-ol?
The IUPAC name of 1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butan-2-ol (CID 129310449) is 1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butan-2-ol.
What is the SMILES notation for 1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butan-2-ol?
The canonical SMILES for 1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butan-2-ol is CCC(O)CN1CCOCCOCCOCCOCC1.
What is the InChIKey of 1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butan-2-ol?
The InChIKey is GHYCYQVVLMBQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO5/c1-2-14(16)13-15-3-5-17-7-9-19-11-12-20-10-8-18-6-4-15/h14,16H,2-13H2,1H3.
What are the key properties of 1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butan-2-ol?
1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butan-2-ol has a molecular weight of 291.39 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butan-2-ol is sourced from PubChem (CID 129310449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).