1-(2-but-3-enoxyethylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol

C13H27NO4 — CID 114184076

IUPAC1-(2-but-3-enoxyethylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESC=CCCOCCNCC(O)COC(C)COC
InChIInChI=1S/C13H27NO4/c1-4-5-7-17-8-6-14-9-13(15)11-18-12(2)10-16-3/h4,12-15H,1,5-11H2,2-3H3
InChIKeySLOLYVLGYXBAFQ-UHFFFAOYSA-N
MW261.36 g/mol
LogP0.58
Rot. Bonds13

About 1-(2-but-3-enoxyethylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol

1-(2-but-3-enoxyethylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol (PubChem CID 114184076) has the molecular formula C13H27NO4 and a molecular weight of 261.36 g/mol. Its IUPAC name is 1-(2-but-3-enoxyethylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-but-3-enoxyethylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
PubChem CID114184076
Molecular FormulaC13H27NO4
Molecular Weight261.36 g/mol
Exact Mass261.19
IUPAC Name1-(2-but-3-enoxyethylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESC=CCCOCCNCC(O)COC(C)COC
InChIInChI=1S/C13H27NO4/c1-4-5-7-17-8-6-14-9-13(15)11-18-12(2)10-16-3/h4,12-15H,1,5-11H2,2-3H3
InChIKeySLOLYVLGYXBAFQ-UHFFFAOYSA-N
XLogP0.58
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 50.58
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

2-Propanol, 1,1'-iminobis(3-allyloxy-
CID 96205
1-[(3-Methoxypropyl)amino]-3-[(prop-2-en-1-yl)oxy]propan-2-ol
CID 295412
1-(Ethylamino)-3-prop-2-enoxypropan-2-ol
CID 15323045
But-1-ene;1-[(2-hydroxy-3-prop-2-enoxypropyl)amino]-3-prop-2-enoxypropan-2-ol
CID 17774236
1-Allyloxy-3-n-propylamino-2-propanol
CID 21430399
1-(But-3-en-2-ylamino)-3-prop-2-enoxypropan-2-ol
CID 23497911
2-[2-(Pent-4-enylamino)ethoxy]ethanol
CID 64314440
1-(But-3-enylamino)-3-prop-2-enoxypropan-2-ol
CID 87142540
2-[2-(2-Hydroxyethoxy)ethoxy]ethanol;2-(2-hydroxyethylamino)ethanol;prop-1-ene
CID 88669907
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

Frequently Asked Questions

What is the IUPAC name of 1-(2-but-3-enoxyethylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The IUPAC name of 1-(2-but-3-enoxyethylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol (CID 114184076) is 1-(2-but-3-enoxyethylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol.
What is the SMILES notation for 1-(2-but-3-enoxyethylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The canonical SMILES for 1-(2-but-3-enoxyethylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol is C=CCCOCCNCC(O)COC(C)COC.
What is the InChIKey of 1-(2-but-3-enoxyethylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The InChIKey is SLOLYVLGYXBAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO4/c1-4-5-7-17-8-6-14-9-13(15)11-18-12(2)10-16-3/h4,12-15H,1,5-11H2,2-3H3.
What are the key properties of 1-(2-but-3-enoxyethylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol?
1-(2-but-3-enoxyethylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol has a molecular weight of 261.36 g/mol, XLogP of 0.58, 13 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-(1-methoxypropan-2-yloxy)propan-2-ol is sourced from PubChem (CID 114184076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).