1-(but-1-en-2-ylamino)-3-prop-2-enoxypropan-2-ol

C10H19NO2 — CID 87142541

IUPAC1-(but-1-en-2-ylamino)-3-prop-2-enoxypropan-2-ol
SMILESC=CCOCC(O)CNC(=C)CC
InChIInChI=1S/C10H19NO2/c1-4-6-13-8-10(12)7-11-9(3)5-2/h4,10-12H,1,3,5-8H2,2H3
InChIKeyFFZYKHXGLYWDNP-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.06
Rot. Bonds8

About 1-(but-1-en-2-ylamino)-3-prop-2-enoxypropan-2-ol

1-(but-1-en-2-ylamino)-3-prop-2-enoxypropan-2-ol (PubChem CID 87142541) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-(but-1-en-2-ylamino)-3-prop-2-enoxypropan-2-ol.

Molecular Properties

Compound Name1-(but-1-en-2-ylamino)-3-prop-2-enoxypropan-2-ol
PubChem CID87142541
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-(but-1-en-2-ylamino)-3-prop-2-enoxypropan-2-ol
SMILESC=CCOCC(O)CNC(=C)CC
InChIInChI=1S/C10H19NO2/c1-4-6-13-8-10(12)7-11-9(3)5-2/h4,10-12H,1,3,5-8H2,2H3
InChIKeyFFZYKHXGLYWDNP-UHFFFAOYSA-N
XLogP1.06
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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
2-Propanol, 1-((1,1-dimethylethyl)amino)-3-(2-propenyloxy)-
CID 3067042
1-(Tert-butylamino)-3-(2-methylbut-3-en-2-yloxy)propan-2-ol
CID 3067050
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-(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;urea
CID 23497910
1-(But-3-en-2-ylamino)-3-prop-2-enoxypropan-2-ol
CID 23497911
1-But-2-enoxy-3-(methylamino)propan-2-ol
CID 58583733

Frequently Asked Questions

What is the IUPAC name of 1-(but-1-en-2-ylamino)-3-prop-2-enoxypropan-2-ol?
The IUPAC name of 1-(but-1-en-2-ylamino)-3-prop-2-enoxypropan-2-ol (CID 87142541) is 1-(but-1-en-2-ylamino)-3-prop-2-enoxypropan-2-ol.
What is the SMILES notation for 1-(but-1-en-2-ylamino)-3-prop-2-enoxypropan-2-ol?
The canonical SMILES for 1-(but-1-en-2-ylamino)-3-prop-2-enoxypropan-2-ol is C=CCOCC(O)CNC(=C)CC.
What is the InChIKey of 1-(but-1-en-2-ylamino)-3-prop-2-enoxypropan-2-ol?
The InChIKey is FFZYKHXGLYWDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-6-13-8-10(12)7-11-9(3)5-2/h4,10-12H,1,3,5-8H2,2H3.
What are the key properties of 1-(but-1-en-2-ylamino)-3-prop-2-enoxypropan-2-ol?
1-(but-1-en-2-ylamino)-3-prop-2-enoxypropan-2-ol has a molecular weight of 185.27 g/mol, XLogP of 1.06, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(but-1-en-2-ylamino)-3-prop-2-enoxypropan-2-ol is sourced from PubChem (CID 87142541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).