2,2,5,5-tetramethyl-N-prop-2-enyloxolan-3-amine

C11H21NO — CID 79916325

IUPAC2,2,5,5-tetramethyl-N-prop-2-enyloxolan-3-amine
SMILESC=CCNC1CC(C)(C)OC1(C)C
InChIInChI=1S/C11H21NO/c1-6-7-12-9-8-10(2,3)13-11(9,4)5/h6,9,12H,1,7-8H2,2-5H3
InChIKeyVJSUFNSQDLLERZ-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.11
Rot. Bonds3

About 2,2,5,5-tetramethyl-N-prop-2-enyloxolan-3-amine

2,2,5,5-tetramethyl-N-prop-2-enyloxolan-3-amine (PubChem CID 79916325) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-N-prop-2-enyloxolan-3-amine.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-N-prop-2-enyloxolan-3-amine
PubChem CID79916325
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2,2,5,5-tetramethyl-N-prop-2-enyloxolan-3-amine
SMILESC=CCNC1CC(C)(C)OC1(C)C
InChIInChI=1S/C11H21NO/c1-6-7-12-9-8-10(2,3)13-11(9,4)5/h6,9,12H,1,7-8H2,2-5H3
InChIKeyVJSUFNSQDLLERZ-UHFFFAOYSA-N
XLogP2.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.11
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 2,2,5,5-tetramethyl-N-prop-2-enyloxolan-3-amine?
The IUPAC name of 2,2,5,5-tetramethyl-N-prop-2-enyloxolan-3-amine (CID 79916325) is 2,2,5,5-tetramethyl-N-prop-2-enyloxolan-3-amine.
What is the SMILES notation for 2,2,5,5-tetramethyl-N-prop-2-enyloxolan-3-amine?
The canonical SMILES for 2,2,5,5-tetramethyl-N-prop-2-enyloxolan-3-amine is C=CCNC1CC(C)(C)OC1(C)C.
What is the InChIKey of 2,2,5,5-tetramethyl-N-prop-2-enyloxolan-3-amine?
The InChIKey is VJSUFNSQDLLERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-6-7-12-9-8-10(2,3)13-11(9,4)5/h6,9,12H,1,7-8H2,2-5H3.
What are the key properties of 2,2,5,5-tetramethyl-N-prop-2-enyloxolan-3-amine?
2,2,5,5-tetramethyl-N-prop-2-enyloxolan-3-amine has a molecular weight of 183.29 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-N-prop-2-enyloxolan-3-amine is sourced from PubChem (CID 79916325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).