2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]prop-2-en-1-amine

C10H21NO2 — CID 103075073

IUPAC2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]prop-2-en-1-amine
SMILESC=C(CN)COCCOC(C)(C)C
InChIInChI=1S/C10H21NO2/c1-9(7-11)8-12-5-6-13-10(2,3)4/h1,5-8,11H2,2-4H3
InChIKeyGEXKQPWSLSSZJZ-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.33
Rot. Bonds6

About 2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]prop-2-en-1-amine

2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]prop-2-en-1-amine (PubChem CID 103075073) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]prop-2-en-1-amine
PubChem CID103075073
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]prop-2-en-1-amine
SMILESC=C(CN)COCCOC(C)(C)C
InChIInChI=1S/C10H21NO2/c1-9(7-11)8-12-5-6-13-10(2,3)4/h1,5-8,11H2,2-4H3
InChIKeyGEXKQPWSLSSZJZ-UHFFFAOYSA-N
XLogP1.33
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.33
H-Bond Donors ≤ 51
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

(E)-3-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]prop-2-en-1-amine
CID 156372718
(Z)-3-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]prop-2-en-1-amine
CID 156372719
3-Methyl-3-(2-methyl-2-prop-2-enoxypropoxy)butan-1-amine
CID 145279702
2-(2-Ethoxyethoxymethyl)prop-2-en-1-amine
CID 103074375
2-(2-ethoxyethoxymethyl)-N-methylprop-2-en-1-amine
CID 103074376
2-(2-Methoxyethoxymethyl)prop-2-en-1-amine
CID 103074420
2-(2-methoxyethoxymethyl)-N-methylprop-2-en-1-amine
CID 103074421
2-(2-Methylpropoxymethyl)prop-2-en-1-amine
CID 103074427
2-(2-Propan-2-yloxyethoxymethyl)prop-2-en-1-amine
CID 103074459
N-methyl-2-(2-propan-2-yloxyethoxymethyl)prop-2-en-1-amine
CID 103074460
2-(2-Butoxyethoxymethyl)prop-2-en-1-amine
CID 103074520
2-(2-butoxyethoxymethyl)-N-methylprop-2-en-1-amine
CID 103074521

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]prop-2-en-1-amine?
The IUPAC name of 2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]prop-2-en-1-amine (CID 103075073) is 2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]prop-2-en-1-amine.
What is the SMILES notation for 2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]prop-2-en-1-amine?
The canonical SMILES for 2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]prop-2-en-1-amine is C=C(CN)COCCOC(C)(C)C.
What is the InChIKey of 2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]prop-2-en-1-amine?
The InChIKey is GEXKQPWSLSSZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-9(7-11)8-12-5-6-13-10(2,3)4/h1,5-8,11H2,2-4H3.
What are the key properties of 2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]prop-2-en-1-amine?
2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]prop-2-en-1-amine has a molecular weight of 187.28 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]prop-2-en-1-amine is sourced from PubChem (CID 103075073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).