(E)-N-(2-methoxyethyl)-2-methyl-3-(5-methyloxolan-2-yl)prop-2-en-1-amine

C12H23NO2 — CID 82838798

IUPAC(E)-N-(2-methoxyethyl)-2-methyl-3-(5-methyloxolan-2-yl)prop-2-en-1-amine
SMILESCOCCNC/C(C)=C/C1CCC(C)O1
InChIInChI=1S/C12H23NO2/c1-10(9-13-6-7-14-3)8-12-5-4-11(2)15-12/h8,11-13H,4-7,9H2,1-3H3/b10-8+
InChIKeyHNSQOWPASXEEFF-CSKARUKUSA-N
MW213.32 g/mol
LogP1.74
Rot. Bonds6

About (E)-N-(2-methoxyethyl)-2-methyl-3-(5-methyloxolan-2-yl)prop-2-en-1-amine

(E)-N-(2-methoxyethyl)-2-methyl-3-(5-methyloxolan-2-yl)prop-2-en-1-amine (PubChem CID 82838798) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is (E)-N-(2-methoxyethyl)-2-methyl-3-(5-methyloxolan-2-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-(2-methoxyethyl)-2-methyl-3-(5-methyloxolan-2-yl)prop-2-en-1-amine
PubChem CID82838798
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name(E)-N-(2-methoxyethyl)-2-methyl-3-(5-methyloxolan-2-yl)prop-2-en-1-amine
SMILESCOCCNC/C(C)=C/C1CCC(C)O1
InChIInChI=1S/C12H23NO2/c1-10(9-13-6-7-14-3)8-12-5-4-11(2)15-12/h8,11-13H,4-7,9H2,1-3H3/b10-8+
InChIKeyHNSQOWPASXEEFF-CSKARUKUSA-N
XLogP1.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.74
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-(5-methyloxolan-2-yl)prop-2-en-1-amine?
The IUPAC name of (E)-N-(2-methoxyethyl)-2-methyl-3-(5-methyloxolan-2-yl)prop-2-en-1-amine (CID 82838798) is (E)-N-(2-methoxyethyl)-2-methyl-3-(5-methyloxolan-2-yl)prop-2-en-1-amine.
What is the SMILES notation for (E)-N-(2-methoxyethyl)-2-methyl-3-(5-methyloxolan-2-yl)prop-2-en-1-amine?
The canonical SMILES for (E)-N-(2-methoxyethyl)-2-methyl-3-(5-methyloxolan-2-yl)prop-2-en-1-amine is COCCNC/C(C)=C/C1CCC(C)O1.
What is the InChIKey of (E)-N-(2-methoxyethyl)-2-methyl-3-(5-methyloxolan-2-yl)prop-2-en-1-amine?
The InChIKey is HNSQOWPASXEEFF-CSKARUKUSA-N. The full InChI is InChI=1S/C12H23NO2/c1-10(9-13-6-7-14-3)8-12-5-4-11(2)15-12/h8,11-13H,4-7,9H2,1-3H3/b10-8+.
What are the key properties of (E)-N-(2-methoxyethyl)-2-methyl-3-(5-methyloxolan-2-yl)prop-2-en-1-amine?
(E)-N-(2-methoxyethyl)-2-methyl-3-(5-methyloxolan-2-yl)prop-2-en-1-amine has a molecular weight of 213.32 g/mol, XLogP of 1.74, 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-(5-methyloxolan-2-yl)prop-2-en-1-amine is sourced from PubChem (CID 82838798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).