1-butoxy-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol

C13H27NO3 — CID 107263140

IUPAC1-butoxy-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol
SMILESC=C(C)COCCNCC(O)COCCCC
InChIInChI=1S/C13H27NO3/c1-4-5-7-16-11-13(15)9-14-6-8-17-10-12(2)3/h13-15H,2,4-11H2,1,3H3
InChIKeyGUXOTWRZMPCSGQ-UHFFFAOYSA-N
MW245.36 g/mol
LogP1.35
Rot. Bonds12

About 1-butoxy-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol

1-butoxy-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol (PubChem CID 107263140) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is 1-butoxy-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-butoxy-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol
PubChem CID107263140
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Name1-butoxy-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol
SMILESC=C(C)COCCNCC(O)COCCCC
InChIInChI=1S/C13H27NO3/c1-4-5-7-16-11-13(15)9-14-6-8-17-10-12(2)3/h13-15H,2,4-11H2,1,3H3
InChIKeyGUXOTWRZMPCSGQ-UHFFFAOYSA-N
XLogP1.35
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(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-(Dipropylamino)-3-(2-methylprop-2-enoxy)propan-2-ol
CID 20203883
1-(Diethylamino)-3-(2-methylprop-2-enoxy)propan-2-ol
CID 20203893
1-(2-Methylbutylamino)-3-prop-2-enoxypropan-2-ol
CID 20730053
(2-Hydroxy-3-prop-2-enoxypropyl)-(2-methylbutyl)azanium
CID 20730092
1-Allyloxy-3-n-propylamino-2-propanol
CID 21430399
[3-[(2-Hydroxy-3-prop-2-enoxypropyl)amino]-2-methylpropyl] sulfite
CID 57219518

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol?
The IUPAC name of 1-butoxy-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol (CID 107263140) is 1-butoxy-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol.
What is the SMILES notation for 1-butoxy-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol?
The canonical SMILES for 1-butoxy-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol is C=C(C)COCCNCC(O)COCCCC.
What is the InChIKey of 1-butoxy-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol?
The InChIKey is GUXOTWRZMPCSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-4-5-7-16-11-13(15)9-14-6-8-17-10-12(2)3/h13-15H,2,4-11H2,1,3H3.
What are the key properties of 1-butoxy-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol?
1-butoxy-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol has a molecular weight of 245.36 g/mol, XLogP of 1.35, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol is sourced from PubChem (CID 107263140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).