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

C9H19NO2 — CID 106932643

IUPAC(2S)-1-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol
SMILESC=C(C)COCCNC[C@H](C)O
InChIInChI=1S/C9H19NO2/c1-8(2)7-12-5-4-10-6-9(3)11/h9-11H,1,4-7H2,2-3H3/t9-/m0/s1
InChIKeyQGICOJADECUIPM-VIFPVBQESA-N
MW173.26 g/mol
LogP0.55
Rot. Bonds7

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

(2S)-1-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol (PubChem CID 106932643) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is (2S)-1-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol
PubChem CID106932643
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name(2S)-1-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol
SMILESC=C(C)COCCNC[C@H](C)O
InChIInChI=1S/C9H19NO2/c1-8(2)7-12-5-4-10-6-9(3)11/h9-11H,1,4-7H2,2-3H3/t9-/m0/s1
InChIKeyQGICOJADECUIPM-VIFPVBQESA-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

1,1,1-Trifluoro-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol
CID 114467711
2-(2-Hydroxypropylamino)ethyl 2-methylprop-2-enoate
CID 57150431
N-ethyl-2-(2-methylprop-2-enoxy)ethanamine
CID 62336670
2-[(2-Methyl-3-prop-2-enoxypropyl)amino]ethanol
CID 90244806
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
2-Hydroxypropyl-dimethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium
CID 21118832
N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
CID 62335739
N-methyl-2-(2-methylprop-2-enoxy)propan-1-amine
CID 62337990
N-(2-methoxyethyl)-2-prop-2-enoxypropan-1-amine
CID 62571599
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

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol?
The IUPAC name of (2S)-1-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol (CID 106932643) is (2S)-1-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol.
What is the SMILES notation for (2S)-1-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol?
The canonical SMILES for (2S)-1-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol is C=C(C)COCCNC[C@H](C)O.
What is the InChIKey of (2S)-1-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol?
The InChIKey is QGICOJADECUIPM-VIFPVBQESA-N. The full InChI is InChI=1S/C9H19NO2/c1-8(2)7-12-5-4-10-6-9(3)11/h9-11H,1,4-7H2,2-3H3/t9-/m0/s1.
What are the key properties of (2S)-1-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol?
(2S)-1-[2-(2-methylprop-2-enoxy)ethylamino]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 (2S)-1-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol is sourced from PubChem (CID 106932643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).