1-[2-(2-methylprop-2-enoxy)ethylamino]butan-2-ol

C10H21NO2 — CID 114467199

IUPAC1-[2-(2-methylprop-2-enoxy)ethylamino]butan-2-ol
SMILESC=C(C)COCCNCC(O)CC
InChIInChI=1S/C10H21NO2/c1-4-10(12)7-11-5-6-13-8-9(2)3/h10-12H,2,4-8H2,1,3H3
InChIKeyKQCMSBFRNKXTIO-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.94
Rot. Bonds8

About 1-[2-(2-methylprop-2-enoxy)ethylamino]butan-2-ol

1-[2-(2-methylprop-2-enoxy)ethylamino]butan-2-ol (PubChem CID 114467199) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 1-[2-(2-methylprop-2-enoxy)ethylamino]butan-2-ol.

Molecular Properties

Compound Name1-[2-(2-methylprop-2-enoxy)ethylamino]butan-2-ol
PubChem CID114467199
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name1-[2-(2-methylprop-2-enoxy)ethylamino]butan-2-ol
SMILESC=C(C)COCCNCC(O)CC
InChIInChI=1S/C10H21NO2/c1-4-10(12)7-11-5-6-13-8-9(2)3/h10-12H,2,4-8H2,1,3H3
InChIKeyKQCMSBFRNKXTIO-UHFFFAOYSA-N
XLogP0.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.94
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

1,1,1-Trifluoro-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol
CID 114467711
4-[(E)-3-ethenoxy-2-methylprop-2-enoxy]-1-(propylamino)butan-2-ol
CID 142257774
1-[[(E)-2-methyl-3-pentan-3-yloxyprop-1-enyl]amino]propan-2-ol
CID 146322364
2-methyl-2-[[(2S)-2-prop-2-enoxypropyl]amino]propan-1-ol
CID 15360225
N-methyl-2-(2-methylprop-2-enoxy)propan-1-amine
CID 62337990
1-(2-Methoxyethylamino)-3-methylbut-3-en-2-ol
CID 79179089
3-methoxy-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine
CID 103033655
(2S)-3-[2-(2-methylprop-2-enoxy)ethylamino]propane-1,2-diol
CID 104929414
(2R)-1-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol
CID 106932642
(2S)-1-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol
CID 106932643
1-(1-Methoxypropan-2-yloxy)-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol
CID 106990599
1-(2-Methoxyethoxy)-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol
CID 106990600

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylprop-2-enoxy)ethylamino]butan-2-ol?
The IUPAC name of 1-[2-(2-methylprop-2-enoxy)ethylamino]butan-2-ol (CID 114467199) is 1-[2-(2-methylprop-2-enoxy)ethylamino]butan-2-ol.
What is the SMILES notation for 1-[2-(2-methylprop-2-enoxy)ethylamino]butan-2-ol?
The canonical SMILES for 1-[2-(2-methylprop-2-enoxy)ethylamino]butan-2-ol is C=C(C)COCCNCC(O)CC.
What is the InChIKey of 1-[2-(2-methylprop-2-enoxy)ethylamino]butan-2-ol?
The InChIKey is KQCMSBFRNKXTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-4-10(12)7-11-5-6-13-8-9(2)3/h10-12H,2,4-8H2,1,3H3.
What are the key properties of 1-[2-(2-methylprop-2-enoxy)ethylamino]butan-2-ol?
1-[2-(2-methylprop-2-enoxy)ethylamino]butan-2-ol has a molecular weight of 187.28 g/mol, XLogP of 0.94, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylprop-2-enoxy)ethylamino]butan-2-ol is sourced from PubChem (CID 114467199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).