2-(2,2,5,5-tetramethyloxolan-3-ylidene)ethanamine

C10H19NO — CID 79934486

IUPAC2-(2,2,5,5-tetramethyloxolan-3-ylidene)ethanamine
SMILESCC1(C)CC(=CCN)C(C)(C)O1
InChIInChI=1S/C10H19NO/c1-9(2)7-8(5-6-11)10(3,4)12-9/h5H,6-7,11H2,1-4H3
InChIKeyVHGTWOJXMQPWEA-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.85
Rot. Bonds1

About 2-(2,2,5,5-tetramethyloxolan-3-ylidene)ethanamine

2-(2,2,5,5-tetramethyloxolan-3-ylidene)ethanamine (PubChem CID 79934486) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-(2,2,5,5-tetramethyloxolan-3-ylidene)ethanamine.

Molecular Properties

Compound Name2-(2,2,5,5-tetramethyloxolan-3-ylidene)ethanamine
PubChem CID79934486
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-(2,2,5,5-tetramethyloxolan-3-ylidene)ethanamine
SMILESCC1(C)CC(=CCN)C(C)(C)O1
InChIInChI=1S/C10H19NO/c1-9(2)7-8(5-6-11)10(3,4)12-9/h5H,6-7,11H2,1-4H3
InChIKeyVHGTWOJXMQPWEA-UHFFFAOYSA-N
XLogP1.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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-(2,2,5,5-tetramethyloxolan-3-ylidene)ethanamine?
The IUPAC name of 2-(2,2,5,5-tetramethyloxolan-3-ylidene)ethanamine (CID 79934486) is 2-(2,2,5,5-tetramethyloxolan-3-ylidene)ethanamine.
What is the SMILES notation for 2-(2,2,5,5-tetramethyloxolan-3-ylidene)ethanamine?
The canonical SMILES for 2-(2,2,5,5-tetramethyloxolan-3-ylidene)ethanamine is CC1(C)CC(=CCN)C(C)(C)O1.
What is the InChIKey of 2-(2,2,5,5-tetramethyloxolan-3-ylidene)ethanamine?
The InChIKey is VHGTWOJXMQPWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-9(2)7-8(5-6-11)10(3,4)12-9/h5H,6-7,11H2,1-4H3.
What are the key properties of 2-(2,2,5,5-tetramethyloxolan-3-ylidene)ethanamine?
2-(2,2,5,5-tetramethyloxolan-3-ylidene)ethanamine has a molecular weight of 169.27 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,5,5-tetramethyloxolan-3-ylidene)ethanamine is sourced from PubChem (CID 79934486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).