(E)-N-(2-methoxyethyl)-2-methyl-3-(oxolan-2-yl)prop-2-en-1-amine

C11H21NO2 — CID 82838396

IUPAC(E)-N-(2-methoxyethyl)-2-methyl-3-(oxolan-2-yl)prop-2-en-1-amine
SMILESCOCCNC/C(C)=C/C1CCCO1
InChIInChI=1S/C11H21NO2/c1-10(9-12-5-7-13-2)8-11-4-3-6-14-11/h8,11-12H,3-7,9H2,1-2H3/b10-8+
InChIKeyBRQBFNJVIITDJA-CSKARUKUSA-N
MW199.29 g/mol
LogP1.35
Rot. Bonds6

About (E)-N-(2-methoxyethyl)-2-methyl-3-(oxolan-2-yl)prop-2-en-1-amine

(E)-N-(2-methoxyethyl)-2-methyl-3-(oxolan-2-yl)prop-2-en-1-amine (PubChem CID 82838396) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (E)-N-(2-methoxyethyl)-2-methyl-3-(oxolan-2-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-(2-methoxyethyl)-2-methyl-3-(oxolan-2-yl)prop-2-en-1-amine
PubChem CID82838396
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(E)-N-(2-methoxyethyl)-2-methyl-3-(oxolan-2-yl)prop-2-en-1-amine
SMILESCOCCNC/C(C)=C/C1CCCO1
InChIInChI=1S/C11H21NO2/c1-10(9-12-5-7-13-2)8-11-4-3-6-14-11/h8,11-12H,3-7,9H2,1-2H3/b10-8+
InChIKeyBRQBFNJVIITDJA-CSKARUKUSA-N
XLogP1.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.35
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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Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-methoxyethyl)-2-methyl-3-(oxolan-2-yl)prop-2-en-1-amine?
The IUPAC name of (E)-N-(2-methoxyethyl)-2-methyl-3-(oxolan-2-yl)prop-2-en-1-amine (CID 82838396) is (E)-N-(2-methoxyethyl)-2-methyl-3-(oxolan-2-yl)prop-2-en-1-amine.
What is the SMILES notation for (E)-N-(2-methoxyethyl)-2-methyl-3-(oxolan-2-yl)prop-2-en-1-amine?
The canonical SMILES for (E)-N-(2-methoxyethyl)-2-methyl-3-(oxolan-2-yl)prop-2-en-1-amine is COCCNC/C(C)=C/C1CCCO1.
What is the InChIKey of (E)-N-(2-methoxyethyl)-2-methyl-3-(oxolan-2-yl)prop-2-en-1-amine?
The InChIKey is BRQBFNJVIITDJA-CSKARUKUSA-N. The full InChI is InChI=1S/C11H21NO2/c1-10(9-12-5-7-13-2)8-11-4-3-6-14-11/h8,11-12H,3-7,9H2,1-2H3/b10-8+.
What are the key properties of (E)-N-(2-methoxyethyl)-2-methyl-3-(oxolan-2-yl)prop-2-en-1-amine?
(E)-N-(2-methoxyethyl)-2-methyl-3-(oxolan-2-yl)prop-2-en-1-amine has a molecular weight of 199.29 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methoxyethyl)-2-methyl-3-(oxolan-2-yl)prop-2-en-1-amine is sourced from PubChem (CID 82838396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).