1-[2-hydroxypropyl(prop-2-enyl)amino]propan-2-ol

C9H19NO2 — CID 23423740

IUPAC1-[2-hydroxypropyl(prop-2-enyl)amino]propan-2-ol
SMILESC=CCN(CC(C)O)CC(C)O
InChIInChI=1S/C9H19NO2/c1-4-5-10(6-8(2)11)7-9(3)12/h4,8-9,11-12H,1,5-7H2,2-3H3
InChIKeyJHHCQWBYIIKQGT-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.24
Rot. Bonds6

About 1-[2-hydroxypropyl(prop-2-enyl)amino]propan-2-ol

1-[2-hydroxypropyl(prop-2-enyl)amino]propan-2-ol (PubChem CID 23423740) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 1-[2-hydroxypropyl(prop-2-enyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[2-hydroxypropyl(prop-2-enyl)amino]propan-2-ol
PubChem CID23423740
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name1-[2-hydroxypropyl(prop-2-enyl)amino]propan-2-ol
SMILESC=CCN(CC(C)O)CC(C)O
InChIInChI=1S/C9H19NO2/c1-4-5-10(6-8(2)11)7-9(3)12/h4,8-9,11-12H,1,5-7H2,2-3H3
InChIKeyJHHCQWBYIIKQGT-UHFFFAOYSA-N
XLogP0.24
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-Allyl-2,2'-iminodiethanol
CID 41439
2-(Diallylamino)ethanol
CID 253018
Allyl dimethyl hydroxyethylammonium chloride
CID 14327232
1-(Diethylamino)-3-buten-2-ol
CID 226115
2-[Methyl(prop-2-enyl)amino]ethanol
CID 3780678
Allyl tris-(2-hydroxyethyl)ammonium chloride
CID 87969591
2-[2-Hydroxyethyl(2-methylprop-2-enyl)amino]ethanol
CID 42881
1-[Methyl(prop-2-enyl)amino]but-3-en-2-ol
CID 130130248
1,1,1-Trifluoro-3-[2-hydroxyethyl(prop-2-enyl)amino]propan-2-ol
CID 104709042
2-[3-Fluoropropyl(prop-2-enyl)amino]ethanol
CID 115721326
3-[2,3-Dihydroxypropyl(prop-2-enyl)amino]propane-1,2-diol;hydrochloride
CID 9794791
3-[2,3-Dihydroxypropyl(prop-2-enyl)amino]propane-1,2-diol
CID 9794792

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxypropyl(prop-2-enyl)amino]propan-2-ol?
The IUPAC name of 1-[2-hydroxypropyl(prop-2-enyl)amino]propan-2-ol (CID 23423740) is 1-[2-hydroxypropyl(prop-2-enyl)amino]propan-2-ol.
What is the SMILES notation for 1-[2-hydroxypropyl(prop-2-enyl)amino]propan-2-ol?
The canonical SMILES for 1-[2-hydroxypropyl(prop-2-enyl)amino]propan-2-ol is C=CCN(CC(C)O)CC(C)O.
What is the InChIKey of 1-[2-hydroxypropyl(prop-2-enyl)amino]propan-2-ol?
The InChIKey is JHHCQWBYIIKQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-4-5-10(6-8(2)11)7-9(3)12/h4,8-9,11-12H,1,5-7H2,2-3H3.
What are the key properties of 1-[2-hydroxypropyl(prop-2-enyl)amino]propan-2-ol?
1-[2-hydroxypropyl(prop-2-enyl)amino]propan-2-ol has a molecular weight of 173.26 g/mol, XLogP of 0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxypropyl(prop-2-enyl)amino]propan-2-ol is sourced from PubChem (CID 23423740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).