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

C9H19NO3 — CID 163906636

IUPAC1-[2-hydroxyprop-2-enyl(2-hydroxypropyl)amino]propan-2-ol
SMILESC=C(O)CN(CC(C)O)CC(C)O
InChIInChI=1S/C9H19NO3/c1-7(11)4-10(5-8(2)12)6-9(3)13/h8-9,11-13H,1,4-6H2,2-3H3
InChIKeyQOLYNQSTDGWRQQ-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.12
Rot. Bonds6

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

1-[2-hydroxyprop-2-enyl(2-hydroxypropyl)amino]propan-2-ol (PubChem CID 163906636) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 1-[2-hydroxyprop-2-enyl(2-hydroxypropyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[2-hydroxyprop-2-enyl(2-hydroxypropyl)amino]propan-2-ol
PubChem CID163906636
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name1-[2-hydroxyprop-2-enyl(2-hydroxypropyl)amino]propan-2-ol
SMILESC=C(O)CN(CC(C)O)CC(C)O
InChIInChI=1S/C9H19NO3/c1-7(11)4-10(5-8(2)12)6-9(3)13/h8-9,11-13H,1,4-6H2,2-3H3
InChIKeyQOLYNQSTDGWRQQ-UHFFFAOYSA-N
XLogP0.12
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-[[bis[(2R)-2-hydroxypropyl]amino]-[(2S)-2-hydroxypropyl]amino]propan-2-ol
CID 92557045
sodium 2-[bis(2-hydroxypropyl)amino]acetate
CID 23683241
2-[carboxymethyl(2-hydroxypropyl)amino]acetic acid;manganese;trihydrate
CID 58773320
1-[ethyl(hydroxymethyl)amino]propan-2-ol
CID 22642430
1-[hydroxymethyl(propyl)amino]propan-2-ol
CID 22642440
(2S)-1-[2-hydroxyethyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol
CID 6950665
bis((2S)-1-[[(2S)-2-hydroxypropyl]-[(2R)-2-hydroxypropyl]amino]propan-2-ol);2-methylpropan-2-ol;zirconium;dihydrate
CID 134991132
methyl 2-[2-hydroxypropyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62955024
acetic acid;1-[bis(2-hydroxyethyl)amino]propan-2-ol
CID 170839006
2-[cyanomethyl-[(2R)-2-hydroxypropyl]amino]acetonitrile
CID 106932699
1-[3-[bis(2-methylpropyl)amino]propyl-(2-hydroxypropyl)amino]propan-2-ol
CID 19889997
1-[2-(dipropylamino)ethyl-(2-hydroxypropyl)amino]propan-2-ol
CID 19890051

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxyprop-2-enyl(2-hydroxypropyl)amino]propan-2-ol?
The IUPAC name of 1-[2-hydroxyprop-2-enyl(2-hydroxypropyl)amino]propan-2-ol (CID 163906636) is 1-[2-hydroxyprop-2-enyl(2-hydroxypropyl)amino]propan-2-ol.
What is the SMILES notation for 1-[2-hydroxyprop-2-enyl(2-hydroxypropyl)amino]propan-2-ol?
The canonical SMILES for 1-[2-hydroxyprop-2-enyl(2-hydroxypropyl)amino]propan-2-ol is C=C(O)CN(CC(C)O)CC(C)O.
What is the InChIKey of 1-[2-hydroxyprop-2-enyl(2-hydroxypropyl)amino]propan-2-ol?
The InChIKey is QOLYNQSTDGWRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-7(11)4-10(5-8(2)12)6-9(3)13/h8-9,11-13H,1,4-6H2,2-3H3.
What are the key properties of 1-[2-hydroxyprop-2-enyl(2-hydroxypropyl)amino]propan-2-ol?
1-[2-hydroxyprop-2-enyl(2-hydroxypropyl)amino]propan-2-ol has a molecular weight of 189.25 g/mol, XLogP of 0.12, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxyprop-2-enyl(2-hydroxypropyl)amino]propan-2-ol is sourced from PubChem (CID 163906636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).