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

C16H29NO — CID 115278850

IUPAC2-cyclohexyl-N-ethyl-3-(5-methyloxolan-2-yl)prop-2-en-1-amine
SMILESCCNCC(=CC1CCC(C)O1)C1CCCCC1
InChIInChI=1S/C16H29NO/c1-3-17-12-15(14-7-5-4-6-8-14)11-16-10-9-13(2)18-16/h11,13-14,16-17H,3-10,12H2,1-2H3
InChIKeyZIJGHNCJFFALAJ-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.67
Rot. Bonds5

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

2-cyclohexyl-N-ethyl-3-(5-methyloxolan-2-yl)prop-2-en-1-amine (PubChem CID 115278850) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 2-cyclohexyl-N-ethyl-3-(5-methyloxolan-2-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-cyclohexyl-N-ethyl-3-(5-methyloxolan-2-yl)prop-2-en-1-amine
PubChem CID115278850
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name2-cyclohexyl-N-ethyl-3-(5-methyloxolan-2-yl)prop-2-en-1-amine
SMILESCCNCC(=CC1CCC(C)O1)C1CCCCC1
InChIInChI=1S/C16H29NO/c1-3-17-12-15(14-7-5-4-6-8-14)11-16-10-9-13(2)18-16/h11,13-14,16-17H,3-10,12H2,1-2H3
InChIKeyZIJGHNCJFFALAJ-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-ethyl-3-(5-methyloxolan-2-yl)prop-2-en-1-amine?
The IUPAC name of 2-cyclohexyl-N-ethyl-3-(5-methyloxolan-2-yl)prop-2-en-1-amine (CID 115278850) is 2-cyclohexyl-N-ethyl-3-(5-methyloxolan-2-yl)prop-2-en-1-amine.
What is the SMILES notation for 2-cyclohexyl-N-ethyl-3-(5-methyloxolan-2-yl)prop-2-en-1-amine?
The canonical SMILES for 2-cyclohexyl-N-ethyl-3-(5-methyloxolan-2-yl)prop-2-en-1-amine is CCNCC(=CC1CCC(C)O1)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-N-ethyl-3-(5-methyloxolan-2-yl)prop-2-en-1-amine?
The InChIKey is ZIJGHNCJFFALAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-3-17-12-15(14-7-5-4-6-8-14)11-16-10-9-13(2)18-16/h11,13-14,16-17H,3-10,12H2,1-2H3.
What are the key properties of 2-cyclohexyl-N-ethyl-3-(5-methyloxolan-2-yl)prop-2-en-1-amine?
2-cyclohexyl-N-ethyl-3-(5-methyloxolan-2-yl)prop-2-en-1-amine has a molecular weight of 251.41 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-ethyl-3-(5-methyloxolan-2-yl)prop-2-en-1-amine is sourced from PubChem (CID 115278850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).