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

C12H25NO3 — CID 106401373

IUPAC1-(2-but-3-enoxyethylamino)-3-propan-2-yloxypropan-2-ol
SMILESC=CCCOCCNCC(O)COC(C)C
InChIInChI=1S/C12H25NO3/c1-4-5-7-15-8-6-13-9-12(14)10-16-11(2)3/h4,11-14H,1,5-10H2,2-3H3
InChIKeyYFCPCYDOKIKVTJ-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.95
Rot. Bonds11

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

1-(2-but-3-enoxyethylamino)-3-propan-2-yloxypropan-2-ol (PubChem CID 106401373) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(2-but-3-enoxyethylamino)-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-(2-but-3-enoxyethylamino)-3-propan-2-yloxypropan-2-ol
PubChem CID106401373
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name1-(2-but-3-enoxyethylamino)-3-propan-2-yloxypropan-2-ol
SMILESC=CCCOCCNCC(O)COC(C)C
InChIInChI=1S/C12H25NO3/c1-4-5-7-15-8-6-13-9-12(14)10-16-11(2)3/h4,11-14H,1,5-10H2,2-3H3
InChIKeyYFCPCYDOKIKVTJ-UHFFFAOYSA-N
XLogP0.95
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(Butylamino)-3-prop-2-enoxypropan-2-ol
CID 316364
1-[(3-Methoxypropyl)amino]-3-[(prop-2-en-1-yl)oxy]propan-2-ol
CID 295412
1-(2-Hydroxyethylamino)-3-prop-2-enoxypropan-2-ol
CID 12521259
1-(Pentyloxy)-3-[(prop-2-en-1-yl)amino]propan-2-ol
CID 14691782
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
1-(But-1-en-2-ylamino)-3-prop-2-enoxypropan-2-ol
CID 87142541
1-[2-[2-[2-(2-Hydroxybut-3-enylamino)ethoxy]ethoxy]ethylamino]butan-2-ol
CID 91024660

Frequently Asked Questions

What is the IUPAC name of 1-(2-but-3-enoxyethylamino)-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-(2-but-3-enoxyethylamino)-3-propan-2-yloxypropan-2-ol (CID 106401373) is 1-(2-but-3-enoxyethylamino)-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-(2-but-3-enoxyethylamino)-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-(2-but-3-enoxyethylamino)-3-propan-2-yloxypropan-2-ol is C=CCCOCCNCC(O)COC(C)C.
What is the InChIKey of 1-(2-but-3-enoxyethylamino)-3-propan-2-yloxypropan-2-ol?
The InChIKey is YFCPCYDOKIKVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-4-5-7-15-8-6-13-9-12(14)10-16-11(2)3/h4,11-14H,1,5-10H2,2-3H3.
What are the key properties of 1-(2-but-3-enoxyethylamino)-3-propan-2-yloxypropan-2-ol?
1-(2-but-3-enoxyethylamino)-3-propan-2-yloxypropan-2-ol has a molecular weight of 231.34 g/mol, XLogP of 0.95, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-but-3-enoxyethylamino)-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 106401373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).