2-(2-ethyl-2-methyloxan-4-ylidene)ethanamine

C10H19NO — CID 77021005

IUPAC2-(2-ethyl-2-methyloxan-4-ylidene)ethanamine
SMILESCCC1(C)CC(=CCN)CCO1
InChIInChI=1S/C10H19NO/c1-3-10(2)8-9(4-6-11)5-7-12-10/h4H,3,5-8,11H2,1-2H3
InChIKeyNXAOPCHIFJFQEK-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.85
Rot. Bonds2

About 2-(2-ethyl-2-methyloxan-4-ylidene)ethanamine

2-(2-ethyl-2-methyloxan-4-ylidene)ethanamine (PubChem CID 77021005) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-(2-ethyl-2-methyloxan-4-ylidene)ethanamine.

Molecular Properties

Compound Name2-(2-ethyl-2-methyloxan-4-ylidene)ethanamine
PubChem CID77021005
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-(2-ethyl-2-methyloxan-4-ylidene)ethanamine
SMILESCCC1(C)CC(=CCN)CCO1
InChIInChI=1S/C10H19NO/c1-3-10(2)8-9(4-6-11)5-7-12-10/h4H,3,5-8,11H2,1-2H3
InChIKeyNXAOPCHIFJFQEK-UHFFFAOYSA-N
XLogP1.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.85
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-(2-ethyl-2-methyloxan-4-ylidene)ethanamine?
The IUPAC name of 2-(2-ethyl-2-methyloxan-4-ylidene)ethanamine (CID 77021005) is 2-(2-ethyl-2-methyloxan-4-ylidene)ethanamine.
What is the SMILES notation for 2-(2-ethyl-2-methyloxan-4-ylidene)ethanamine?
The canonical SMILES for 2-(2-ethyl-2-methyloxan-4-ylidene)ethanamine is CCC1(C)CC(=CCN)CCO1.
What is the InChIKey of 2-(2-ethyl-2-methyloxan-4-ylidene)ethanamine?
The InChIKey is NXAOPCHIFJFQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-10(2)8-9(4-6-11)5-7-12-10/h4H,3,5-8,11H2,1-2H3.
What are the key properties of 2-(2-ethyl-2-methyloxan-4-ylidene)ethanamine?
2-(2-ethyl-2-methyloxan-4-ylidene)ethanamine has a molecular weight of 169.27 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-2-methyloxan-4-ylidene)ethanamine is sourced from PubChem (CID 77021005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).