3-[3-(prop-2-enylamino)propoxy]propane-1,2-diol

C9H19NO3 — CID 175381048

IUPAC3-[3-(prop-2-enylamino)propoxy]propane-1,2-diol
SMILESC=CCNCCCOCC(O)CO
InChIInChI=1S/C9H19NO3/c1-2-4-10-5-3-6-13-8-9(12)7-11/h2,9-12H,1,3-8H2
InChIKeyIOCYXRGDJCWUPN-UHFFFAOYSA-N
MW189.25 g/mol
LogP-0.48
Rot. Bonds9

About 3-[3-(prop-2-enylamino)propoxy]propane-1,2-diol

3-[3-(prop-2-enylamino)propoxy]propane-1,2-diol (PubChem CID 175381048) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 3-[3-(prop-2-enylamino)propoxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[3-(prop-2-enylamino)propoxy]propane-1,2-diol
PubChem CID175381048
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name3-[3-(prop-2-enylamino)propoxy]propane-1,2-diol
SMILESC=CCNCCCOCC(O)CO
InChIInChI=1S/C9H19NO3/c1-2-4-10-5-3-6-13-8-9(12)7-11/h2,9-12H,1,3-8H2
InChIKeyIOCYXRGDJCWUPN-UHFFFAOYSA-N
XLogP-0.48
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
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-butoxy-3-(prop-2-enylamino)propan-2-ol
CID 107262418
3-(4-methylpentoxy)-N-prop-2-enylpropan-1-amine
CID 164556992
dodecakis(hex-1-ene);3-pentoxypropane-1,2-diol
CID 174793085
methane;3-prop-2-enoxypropane-1,2-diol
CID 174709121
1-(2-methoxyethoxy)-3-(prop-2-enylamino)propan-2-ol
CID 106988982
3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propane-1,2-diol
CID 54120900
3-(12-hydroxydodecoxy)propane-1,2-diol
CID 78063027
N,N'-bis(prop-2-enyl)decane-1,10-diamine
CID 118539136
7-(prop-2-enylamino)heptan-1-ol
CID 87378145
5-(prop-2-enylamino)pentan-1-ol
CID 62228256
(2S)-3-pentoxypropane-1,2-diol
CID 56628191
10-(2,3-dihydroxypropoxy)decane-1,1-diol
CID 87342423

Frequently Asked Questions

What is the IUPAC name of 3-[3-(prop-2-enylamino)propoxy]propane-1,2-diol?
The IUPAC name of 3-[3-(prop-2-enylamino)propoxy]propane-1,2-diol (CID 175381048) is 3-[3-(prop-2-enylamino)propoxy]propane-1,2-diol.
What is the SMILES notation for 3-[3-(prop-2-enylamino)propoxy]propane-1,2-diol?
The canonical SMILES for 3-[3-(prop-2-enylamino)propoxy]propane-1,2-diol is C=CCNCCCOCC(O)CO.
What is the InChIKey of 3-[3-(prop-2-enylamino)propoxy]propane-1,2-diol?
The InChIKey is IOCYXRGDJCWUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-2-4-10-5-3-6-13-8-9(12)7-11/h2,9-12H,1,3-8H2.
What are the key properties of 3-[3-(prop-2-enylamino)propoxy]propane-1,2-diol?
3-[3-(prop-2-enylamino)propoxy]propane-1,2-diol has a molecular weight of 189.25 g/mol, XLogP of -0.48, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(prop-2-enylamino)propoxy]propane-1,2-diol is sourced from PubChem (CID 175381048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).