1-(2-but-3-enoxyethylamino)-3-(2-butoxyethoxy)propan-2-ol

C15H31NO4 — CID 106401371

IUPAC1-(2-but-3-enoxyethylamino)-3-(2-butoxyethoxy)propan-2-ol
SMILESC=CCCOCCNCC(O)COCCOCCCC
InChIInChI=1S/C15H31NO4/c1-3-5-8-18-10-7-16-13-15(17)14-20-12-11-19-9-6-4-2/h3,15-17H,1,4-14H2,2H3
InChIKeyIUVPUMWEHAYDEY-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.36
Rot. Bonds16

About 1-(2-but-3-enoxyethylamino)-3-(2-butoxyethoxy)propan-2-ol

1-(2-but-3-enoxyethylamino)-3-(2-butoxyethoxy)propan-2-ol (PubChem CID 106401371) has the molecular formula C15H31NO4 and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-(2-but-3-enoxyethylamino)-3-(2-butoxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-but-3-enoxyethylamino)-3-(2-butoxyethoxy)propan-2-ol
PubChem CID106401371
Molecular FormulaC15H31NO4
Molecular Weight289.42 g/mol
Exact Mass289.23
IUPAC Name1-(2-but-3-enoxyethylamino)-3-(2-butoxyethoxy)propan-2-ol
SMILESC=CCCOCCNCC(O)COCCOCCCC
InChIInChI=1S/C15H31NO4/c1-3-5-8-18-10-7-16-13-15(17)14-20-12-11-19-9-6-4-2/h3,15-17H,1,4-14H2,2H3
InChIKeyIUVPUMWEHAYDEY-UHFFFAOYSA-N
XLogP1.36
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(Pentyloxy)-3-[(prop-2-en-1-yl)amino]propan-2-ol
CID 14691782
But-1-ene;1-[(2-hydroxy-3-prop-2-enoxypropyl)amino]-3-prop-2-enoxypropan-2-ol
CID 17774236
1-(But-3-enylamino)-3-prop-2-enoxypropan-2-ol
CID 87142540
1-[2-[2-(2-Aminoethoxy)ethoxy]ethyl-(2-hydroxypropyl)amino]but-3-en-2-ol
CID 90943339
1-[2-[2-[2-(2-Hydroxybut-3-enylamino)ethoxy]ethoxy]ethylamino]butan-2-ol
CID 91024660
1-Methoxy-3-(pent-4-en-2-ylamino)propan-2-ol
CID 116040405
(2R)-1-butoxy-3-(prop-2-enylamino)propan-2-ol
CID 118033671
(2R)-1-methoxy-3-[[(2S)-pent-4-en-2-yl]amino]propan-2-ol
CID 130367669
2-(Hydroxymethyl)-2-[(2-hydroxy-3-pent-4-enoxypropyl)amino]propane-1,3-diol
CID 145391981
4-[[3-(But-3-enylamino)-2-hydroxypropyl]amino]-1-ethoxybutan-2-ol
CID 156545464
2-[2-[(2R)-pent-4-en-2-yl]oxyethylamino]ethanol
CID 163706315
1-Propan-2-yloxy-3-(prop-2-enylamino)propan-2-ol
CID 14691781

Frequently Asked Questions

What is the IUPAC name of 1-(2-but-3-enoxyethylamino)-3-(2-butoxyethoxy)propan-2-ol?
The IUPAC name of 1-(2-but-3-enoxyethylamino)-3-(2-butoxyethoxy)propan-2-ol (CID 106401371) is 1-(2-but-3-enoxyethylamino)-3-(2-butoxyethoxy)propan-2-ol.
What is the SMILES notation for 1-(2-but-3-enoxyethylamino)-3-(2-butoxyethoxy)propan-2-ol?
The canonical SMILES for 1-(2-but-3-enoxyethylamino)-3-(2-butoxyethoxy)propan-2-ol is C=CCCOCCNCC(O)COCCOCCCC.
What is the InChIKey of 1-(2-but-3-enoxyethylamino)-3-(2-butoxyethoxy)propan-2-ol?
The InChIKey is IUVPUMWEHAYDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO4/c1-3-5-8-18-10-7-16-13-15(17)14-20-12-11-19-9-6-4-2/h3,15-17H,1,4-14H2,2H3.
What are the key properties of 1-(2-but-3-enoxyethylamino)-3-(2-butoxyethoxy)propan-2-ol?
1-(2-but-3-enoxyethylamino)-3-(2-butoxyethoxy)propan-2-ol has a molecular weight of 289.42 g/mol, XLogP of 1.36, 16 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-but-3-enoxyethylamino)-3-(2-butoxyethoxy)propan-2-ol is sourced from PubChem (CID 106401371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).