1-propan-2-yloxy-3-(prop-2-enylamino)propan-2-ol

C9H19NO2 — CID 14691781

IUPAC1-propan-2-yloxy-3-(prop-2-enylamino)propan-2-ol
SMILESC=CCNCC(O)COC(C)C
InChIInChI=1S/C9H19NO2/c1-4-5-10-6-9(11)7-12-8(2)3/h4,8-11H,1,5-7H2,2-3H3
InChIKeyOCPCHFWLYFPENB-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.55
Rot. Bonds7

About 1-propan-2-yloxy-3-(prop-2-enylamino)propan-2-ol

1-propan-2-yloxy-3-(prop-2-enylamino)propan-2-ol (PubChem CID 14691781) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 1-propan-2-yloxy-3-(prop-2-enylamino)propan-2-ol.

Molecular Properties

Compound Name1-propan-2-yloxy-3-(prop-2-enylamino)propan-2-ol
PubChem CID14691781
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name1-propan-2-yloxy-3-(prop-2-enylamino)propan-2-ol
SMILESC=CCNCC(O)COC(C)C
InChIInChI=1S/C9H19NO2/c1-4-5-10-6-9(11)7-12-8(2)3/h4,8-11H,1,5-7H2,2-3H3
InChIKeyOCPCHFWLYFPENB-UHFFFAOYSA-N
XLogP0.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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-[2-(Ethenyloxy)-ethoxy]-3-[(2-hydroxyethyl)amino]propan-2-ol
CID 14495129
1-(Butylamino)-3-prop-2-enoxypropan-2-ol
CID 316364
ST50983582
CID 4075796
1-t-Butylamino-3-(2-vinyloxyethoxy)-2-propanol
CID 15446366
1-[(3-Methoxypropyl)amino]-3-[(prop-2-en-1-yl)oxy]propan-2-ol
CID 295412
1-Allyloxy-3-methylamino-propan-2-ol
CID 3152610
1-(2-Hydroxyethylamino)-3-prop-2-enoxypropan-2-ol
CID 12521259
1-(Pentyloxy)-3-[(prop-2-en-1-yl)amino]propan-2-ol
CID 14691782
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

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yloxy-3-(prop-2-enylamino)propan-2-ol?
The IUPAC name of 1-propan-2-yloxy-3-(prop-2-enylamino)propan-2-ol (CID 14691781) is 1-propan-2-yloxy-3-(prop-2-enylamino)propan-2-ol.
What is the SMILES notation for 1-propan-2-yloxy-3-(prop-2-enylamino)propan-2-ol?
The canonical SMILES for 1-propan-2-yloxy-3-(prop-2-enylamino)propan-2-ol is C=CCNCC(O)COC(C)C.
What is the InChIKey of 1-propan-2-yloxy-3-(prop-2-enylamino)propan-2-ol?
The InChIKey is OCPCHFWLYFPENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-4-5-10-6-9(11)7-12-8(2)3/h4,8-11H,1,5-7H2,2-3H3.
What are the key properties of 1-propan-2-yloxy-3-(prop-2-enylamino)propan-2-ol?
1-propan-2-yloxy-3-(prop-2-enylamino)propan-2-ol has a molecular weight of 173.26 g/mol, XLogP of 0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yloxy-3-(prop-2-enylamino)propan-2-ol is sourced from PubChem (CID 14691781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).