1-[2-[2-[2-(2-hydroxybut-3-enylamino)ethoxy]ethoxy]ethylamino]butan-2-ol

C14H30N2O4 — CID 91024660

IUPAC1-[2-[2-[2-(2-hydroxybut-3-enylamino)ethoxy]ethoxy]ethylamino]butan-2-ol
SMILESC=CC(O)CNCCOCCOCCNCC(O)CC
InChIInChI=1S/C14H30N2O4/c1-3-13(17)11-15-5-7-19-9-10-20-8-6-16-12-14(18)4-2/h3,13-18H,1,4-12H2,2H3
InChIKeyOBYOULZYJBYEGU-UHFFFAOYSA-N
MW290.40 g/mol
LogP-0.48
Rot. Bonds15

About 1-[2-[2-[2-(2-hydroxybut-3-enylamino)ethoxy]ethoxy]ethylamino]butan-2-ol

1-[2-[2-[2-(2-hydroxybut-3-enylamino)ethoxy]ethoxy]ethylamino]butan-2-ol (PubChem CID 91024660) has the molecular formula C14H30N2O4 and a molecular weight of 290.40 g/mol. Its IUPAC name is 1-[2-[2-[2-(2-hydroxybut-3-enylamino)ethoxy]ethoxy]ethylamino]butan-2-ol.

Molecular Properties

Compound Name1-[2-[2-[2-(2-hydroxybut-3-enylamino)ethoxy]ethoxy]ethylamino]butan-2-ol
PubChem CID91024660
Molecular FormulaC14H30N2O4
Molecular Weight290.40 g/mol
Exact Mass290.22
IUPAC Name1-[2-[2-[2-(2-hydroxybut-3-enylamino)ethoxy]ethoxy]ethylamino]butan-2-ol
SMILESC=CC(O)CNCCOCCOCCNCC(O)CC
InChIInChI=1S/C14H30N2O4/c1-3-13(17)11-15-5-7-19-9-10-20-8-6-16-12-14(18)4-2/h3,13-18H,1,4-12H2,2H3
InChIKeyOBYOULZYJBYEGU-UHFFFAOYSA-N
XLogP-0.48
TPSA82.98 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 5-0.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-[2-[2-(2-Hydroxybut-3-enylamino)ethoxy]ethoxymethylamino]butan-2-ol
CID 88999729
1-[2-[2-(2-Aminoethoxy)ethoxy]ethyl-(2-hydroxypropyl)amino]but-3-en-2-ol
CID 90943339
1-[2-[2-[2-[2-Hydroxybut-3-enyl(2-hydroxypropyl)amino]ethoxy]ethoxy]ethylamino]-3,3-dimethylbutan-2-ol
CID 91036586
4-[[3-(But-3-enylamino)-2-hydroxypropyl]amino]-1-ethoxybutan-2-ol
CID 156545464
1-(2-But-3-enoxyethylamino)-3-(2-ethoxyethoxy)propan-2-ol
CID 106401366
1-(2-But-3-enoxyethylamino)-3-(2-butoxyethoxy)propan-2-ol
CID 106401371
1-(2-But-3-enoxyethylamino)-3-propan-2-yloxypropan-2-ol
CID 106401373
4-(2-But-3-enoxyethylamino)butan-2-ol
CID 106401439
1-(2-But-3-enoxyethylamino)-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 106401496
1-(2-But-3-enoxyethylamino)butan-2-ol
CID 106401552
1-(2-But-3-enoxyethylamino)-3-ethoxypropan-2-ol
CID 106401562
1-(2-But-3-enoxyethylamino)-3-(2-methoxyethoxy)propan-2-ol
CID 106401803

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-(2-hydroxybut-3-enylamino)ethoxy]ethoxy]ethylamino]butan-2-ol?
The IUPAC name of 1-[2-[2-[2-(2-hydroxybut-3-enylamino)ethoxy]ethoxy]ethylamino]butan-2-ol (CID 91024660) is 1-[2-[2-[2-(2-hydroxybut-3-enylamino)ethoxy]ethoxy]ethylamino]butan-2-ol.
What is the SMILES notation for 1-[2-[2-[2-(2-hydroxybut-3-enylamino)ethoxy]ethoxy]ethylamino]butan-2-ol?
The canonical SMILES for 1-[2-[2-[2-(2-hydroxybut-3-enylamino)ethoxy]ethoxy]ethylamino]butan-2-ol is C=CC(O)CNCCOCCOCCNCC(O)CC.
What is the InChIKey of 1-[2-[2-[2-(2-hydroxybut-3-enylamino)ethoxy]ethoxy]ethylamino]butan-2-ol?
The InChIKey is OBYOULZYJBYEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O4/c1-3-13(17)11-15-5-7-19-9-10-20-8-6-16-12-14(18)4-2/h3,13-18H,1,4-12H2,2H3.
What are the key properties of 1-[2-[2-[2-(2-hydroxybut-3-enylamino)ethoxy]ethoxy]ethylamino]butan-2-ol?
1-[2-[2-[2-(2-hydroxybut-3-enylamino)ethoxy]ethoxy]ethylamino]butan-2-ol has a molecular weight of 290.40 g/mol, XLogP of -0.48, 15 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-(2-hydroxybut-3-enylamino)ethoxy]ethoxy]ethylamino]butan-2-ol is sourced from PubChem (CID 91024660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).