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

C11H23NO2 — CID 14691782

IUPAC1-pentoxy-3-(prop-2-enylamino)propan-2-ol
SMILESC=CCNCC(O)COCCCCC
InChIInChI=1S/C11H23NO2/c1-3-5-6-8-14-10-11(13)9-12-7-4-2/h4,11-13H,2-3,5-10H2,1H3
InChIKeyMFVGGLWOLFPNHY-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.33
Rot. Bonds10

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

1-pentoxy-3-(prop-2-enylamino)propan-2-ol (PubChem CID 14691782) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-pentoxy-3-(prop-2-enylamino)propan-2-ol.

Molecular Properties

Compound Name1-pentoxy-3-(prop-2-enylamino)propan-2-ol
PubChem CID14691782
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name1-pentoxy-3-(prop-2-enylamino)propan-2-ol
SMILESC=CCNCC(O)COCCCCC
InChIInChI=1S/C11H23NO2/c1-3-5-6-8-14-10-11(13)9-12-7-4-2/h4,11-13H,2-3,5-10H2,1H3
InChIKeyMFVGGLWOLFPNHY-UHFFFAOYSA-N
XLogP1.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.33
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

1-(Butylamino)-3-prop-2-enoxypropan-2-ol
CID 316364
1-[(3-Methoxypropyl)amino]-3-[(prop-2-en-1-yl)oxy]propan-2-ol
CID 295412
1-(2-Hydroxyethylamino)-3-prop-2-enoxypropan-2-ol
CID 12521259
1-(Ethylamino)-3-prop-2-enoxypropan-2-ol
CID 15323045
1-Allyloxy-3-n-propylamino-2-propanol
CID 21430399
1-(Methylamino)-3-pentoxypropan-2-ol
CID 43275107
3-Amino-1-pentoxy-1-(prop-2-enylamino)propan-2-ol
CID 88751527
(2R)-1-butoxy-3-(prop-2-enylamino)propan-2-ol
CID 118033671
1-(2-Hydroxypropylamino)-3-prop-2-enoxypropan-2-ol
CID 118348323
1-Prop-2-enoxy-3-(prop-2-enylamino)propan-2-ol
CID 139785987
1-(2-Hydroxyethoxy)-4-(prop-2-enylamino)butan-2-ol
CID 141431274
Ethane;1-(ethylamino)-3-pentan-2-yloxypropan-2-ol
CID 145052445

Frequently Asked Questions

What is the IUPAC name of 1-pentoxy-3-(prop-2-enylamino)propan-2-ol?
The IUPAC name of 1-pentoxy-3-(prop-2-enylamino)propan-2-ol (CID 14691782) is 1-pentoxy-3-(prop-2-enylamino)propan-2-ol.
What is the SMILES notation for 1-pentoxy-3-(prop-2-enylamino)propan-2-ol?
The canonical SMILES for 1-pentoxy-3-(prop-2-enylamino)propan-2-ol is C=CCNCC(O)COCCCCC.
What is the InChIKey of 1-pentoxy-3-(prop-2-enylamino)propan-2-ol?
The InChIKey is MFVGGLWOLFPNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-3-5-6-8-14-10-11(13)9-12-7-4-2/h4,11-13H,2-3,5-10H2,1H3.
What are the key properties of 1-pentoxy-3-(prop-2-enylamino)propan-2-ol?
1-pentoxy-3-(prop-2-enylamino)propan-2-ol has a molecular weight of 201.31 g/mol, XLogP of 1.33, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentoxy-3-(prop-2-enylamino)propan-2-ol is sourced from PubChem (CID 14691782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).