1-prop-2-enoxy-3-(propylamino)propan-2-ol

C9H19NO2 — CID 21430399

IUPAC1-prop-2-enoxy-3-(propylamino)propan-2-ol
SMILESC=CCOCC(O)CNCCC
InChIInChI=1S/C9H19NO2/c1-3-5-10-7-9(11)8-12-6-4-2/h4,9-11H,2-3,5-8H2,1H3
InChIKeySQUJSRJTKWLVBD-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.55
Rot. Bonds8

About 1-prop-2-enoxy-3-(propylamino)propan-2-ol

1-prop-2-enoxy-3-(propylamino)propan-2-ol (PubChem CID 21430399) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 1-prop-2-enoxy-3-(propylamino)propan-2-ol.

Molecular Properties

Compound Name1-prop-2-enoxy-3-(propylamino)propan-2-ol
PubChem CID21430399
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name1-prop-2-enoxy-3-(propylamino)propan-2-ol
SMILESC=CCOCC(O)CNCCC
InChIInChI=1S/C9H19NO2/c1-3-5-10-7-9(11)8-12-6-4-2/h4,9-11H,2-3,5-8H2,1H3
InChIKeySQUJSRJTKWLVBD-UHFFFAOYSA-N
XLogP0.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.55
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
3-(Allyloxy)-1-(1,1,3,3-tetramethylbutylamino)-2-propanol
CID 18593554
1-(Allyloxy)-3-(dimethylamino)propan-2-ol
CID 2793817
(2-Hydroxy-3-prop-2-enoxypropyl)-dimethylazanium acetate
CID 3022343
1-[Bis(2-hydroxyethyl)amino]-3-prop-2-enoxypropan-2-ol
CID 13725666
(2-Hydroxy-3-prop-2-enoxypropyl)-trimethylazanium chloride
CID 23227966
1-(Dibutylamino)-3-(prop-2-en-1-yloxy)propan-2-ol
CID 261304
1-(Butylamino)-3-prop-2-enoxypropan-2-ol
CID 316364
ST50983582
CID 4075796
1-(Allyloxy)-3-(dimethylamino)propan-2-ol hydrochloride
CID 3022344

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enoxy-3-(propylamino)propan-2-ol?
The IUPAC name of 1-prop-2-enoxy-3-(propylamino)propan-2-ol (CID 21430399) is 1-prop-2-enoxy-3-(propylamino)propan-2-ol.
What is the SMILES notation for 1-prop-2-enoxy-3-(propylamino)propan-2-ol?
The canonical SMILES for 1-prop-2-enoxy-3-(propylamino)propan-2-ol is C=CCOCC(O)CNCCC.
What is the InChIKey of 1-prop-2-enoxy-3-(propylamino)propan-2-ol?
The InChIKey is SQUJSRJTKWLVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-3-5-10-7-9(11)8-12-6-4-2/h4,9-11H,2-3,5-8H2,1H3.
What are the key properties of 1-prop-2-enoxy-3-(propylamino)propan-2-ol?
1-prop-2-enoxy-3-(propylamino)propan-2-ol has a molecular weight of 173.26 g/mol, XLogP of 0.55, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enoxy-3-(propylamino)propan-2-ol is sourced from PubChem (CID 21430399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).