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

C17H31NO2 — CID 82839656

IUPAC(E)-2-cyclohexyl-N-(2-methoxyethyl)-3-(5-methyloxolan-2-yl)prop-2-en-1-amine
SMILESCOCCNC/C(=C/C1CCC(C)O1)C1CCCCC1
InChIInChI=1S/C17H31NO2/c1-14-8-9-17(20-14)12-16(13-18-10-11-19-2)15-6-4-3-5-7-15/h12,14-15,17-18H,3-11,13H2,1-2H3/b16-12-
InChIKeyJIPLZPLVKZOTOH-VBKFSLOCSA-N
MW281.44 g/mol
LogP3.30
Rot. Bonds7

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

(E)-2-cyclohexyl-N-(2-methoxyethyl)-3-(5-methyloxolan-2-yl)prop-2-en-1-amine (PubChem CID 82839656) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is (E)-2-cyclohexyl-N-(2-methoxyethyl)-3-(5-methyloxolan-2-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-2-cyclohexyl-N-(2-methoxyethyl)-3-(5-methyloxolan-2-yl)prop-2-en-1-amine
PubChem CID82839656
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name(E)-2-cyclohexyl-N-(2-methoxyethyl)-3-(5-methyloxolan-2-yl)prop-2-en-1-amine
SMILESCOCCNC/C(=C/C1CCC(C)O1)C1CCCCC1
InChIInChI=1S/C17H31NO2/c1-14-8-9-17(20-14)12-16(13-18-10-11-19-2)15-6-4-3-5-7-15/h12,14-15,17-18H,3-11,13H2,1-2H3/b16-12-
InChIKeyJIPLZPLVKZOTOH-VBKFSLOCSA-N
XLogP3.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.30
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)-2-cyclohexyl-N-(2-methoxyethyl)-3-(5-methyloxolan-2-yl)prop-2-en-1-amine?
The IUPAC name of (E)-2-cyclohexyl-N-(2-methoxyethyl)-3-(5-methyloxolan-2-yl)prop-2-en-1-amine (CID 82839656) is (E)-2-cyclohexyl-N-(2-methoxyethyl)-3-(5-methyloxolan-2-yl)prop-2-en-1-amine.
What is the SMILES notation for (E)-2-cyclohexyl-N-(2-methoxyethyl)-3-(5-methyloxolan-2-yl)prop-2-en-1-amine?
The canonical SMILES for (E)-2-cyclohexyl-N-(2-methoxyethyl)-3-(5-methyloxolan-2-yl)prop-2-en-1-amine is COCCNC/C(=C/C1CCC(C)O1)C1CCCCC1.
What is the InChIKey of (E)-2-cyclohexyl-N-(2-methoxyethyl)-3-(5-methyloxolan-2-yl)prop-2-en-1-amine?
The InChIKey is JIPLZPLVKZOTOH-VBKFSLOCSA-N. The full InChI is InChI=1S/C17H31NO2/c1-14-8-9-17(20-14)12-16(13-18-10-11-19-2)15-6-4-3-5-7-15/h12,14-15,17-18H,3-11,13H2,1-2H3/b16-12-.
What are the key properties of (E)-2-cyclohexyl-N-(2-methoxyethyl)-3-(5-methyloxolan-2-yl)prop-2-en-1-amine?
(E)-2-cyclohexyl-N-(2-methoxyethyl)-3-(5-methyloxolan-2-yl)prop-2-en-1-amine has a molecular weight of 281.44 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyclohexyl-N-(2-methoxyethyl)-3-(5-methyloxolan-2-yl)prop-2-en-1-amine is sourced from PubChem (CID 82839656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).