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

C10H21NO2 — CID 114467459

IUPAC2-methyl-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-1-ol
SMILESC=C(C)COCCNCC(C)CO
InChIInChI=1S/C10H21NO2/c1-9(2)8-13-5-4-11-6-10(3)7-12/h10-12H,1,4-8H2,2-3H3
InChIKeyXRPVEXOZOKFLOR-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.80
Rot. Bonds8

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

2-methyl-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-1-ol (PubChem CID 114467459) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 2-methyl-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-1-ol
PubChem CID114467459
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name2-methyl-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-1-ol
SMILESC=C(C)COCCNCC(C)CO
InChIInChI=1S/C10H21NO2/c1-9(2)8-13-5-4-11-6-10(3)7-12/h10-12H,1,4-8H2,2-3H3
InChIKeyXRPVEXOZOKFLOR-UHFFFAOYSA-N
XLogP0.80
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 ≤ 50.80
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-[(2-Methyl-3-prop-2-enoxypropyl)amino]ethanol
CID 90244806
1-[2-(2-Aminoethoxy)ethylamino]-2-methylprop-2-en-1-ol
CID 145112170
3-(2-Prop-2-enoxyethylamino)propan-1-ol
CID 153618108
N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
CID 62335739
3-(2-methoxyethoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
CID 103409713
(2S)-3-[2-(2-methylprop-2-enoxy)ethylamino]propane-1,2-diol
CID 104929414
N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-methylpropoxy)ethanamine
CID 106452619
N-[2-(2-methylprop-2-enoxy)ethyl]-2-propoxyethanamine
CID 106452620
(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 2-methyl-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-1-ol?
The IUPAC name of 2-methyl-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-1-ol (CID 114467459) is 2-methyl-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-1-ol.
What is the SMILES notation for 2-methyl-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-1-ol?
The canonical SMILES for 2-methyl-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-1-ol is C=C(C)COCCNCC(C)CO.
What is the InChIKey of 2-methyl-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-1-ol?
The InChIKey is XRPVEXOZOKFLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-9(2)8-13-5-4-11-6-10(3)7-12/h10-12H,1,4-8H2,2-3H3.
What are the key properties of 2-methyl-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-1-ol?
2-methyl-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-1-ol has a molecular weight of 187.28 g/mol, XLogP of 0.80, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-1-ol is sourced from PubChem (CID 114467459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).