3-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]prop-1-en-2-ol

C10H21NO2 — CID 58018178

IUPAC3-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]prop-1-en-2-ol
SMILESC=C(O)CN(C)CCOC(C)(C)C
InChIInChI=1S/C10H21NO2/c1-9(12)8-11(5)6-7-13-10(2,3)4/h12H,1,6-8H2,2-5H3
InChIKeyFJBUJVMBUILTEE-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.80
Rot. Bonds5

About 3-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]prop-1-en-2-ol

3-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]prop-1-en-2-ol (PubChem CID 58018178) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 3-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]prop-1-en-2-ol.

Molecular Properties

Compound Name3-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]prop-1-en-2-ol
PubChem CID58018178
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name3-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]prop-1-en-2-ol
SMILESC=C(O)CN(C)CCOC(C)(C)C
InChIInChI=1S/C10H21NO2/c1-9(12)8-11(5)6-7-13-10(2,3)4/h12H,1,6-8H2,2-5H3
InChIKeyFJBUJVMBUILTEE-UHFFFAOYSA-N
XLogP1.80
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]prop-1-en-2-ol?
The IUPAC name of 3-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]prop-1-en-2-ol (CID 58018178) is 3-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]prop-1-en-2-ol.
What is the SMILES notation for 3-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]prop-1-en-2-ol?
The canonical SMILES for 3-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]prop-1-en-2-ol is C=C(O)CN(C)CCOC(C)(C)C.
What is the InChIKey of 3-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]prop-1-en-2-ol?
The InChIKey is FJBUJVMBUILTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-9(12)8-11(5)6-7-13-10(2,3)4/h12H,1,6-8H2,2-5H3.
What are the key properties of 3-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]prop-1-en-2-ol?
3-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]prop-1-en-2-ol has a molecular weight of 187.28 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]prop-1-en-2-ol is sourced from PubChem (CID 58018178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).