2-(2,2,5,5-tetramethyloxolan-3-ylidene)propan-1-amine

C11H21NO — CID 103392271

IUPAC2-(2,2,5,5-tetramethyloxolan-3-ylidene)propan-1-amine
SMILESCC(CN)=C1CC(C)(C)OC1(C)C
InChIInChI=1S/C11H21NO/c1-8(7-12)9-6-10(2,3)13-11(9,4)5/h6-7,12H2,1-5H3
InChIKeyKPQYCAHXQMWSBH-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.24
Rot. Bonds1

About 2-(2,2,5,5-tetramethyloxolan-3-ylidene)propan-1-amine

2-(2,2,5,5-tetramethyloxolan-3-ylidene)propan-1-amine (PubChem CID 103392271) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-(2,2,5,5-tetramethyloxolan-3-ylidene)propan-1-amine.

Molecular Properties

Compound Name2-(2,2,5,5-tetramethyloxolan-3-ylidene)propan-1-amine
PubChem CID103392271
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-(2,2,5,5-tetramethyloxolan-3-ylidene)propan-1-amine
SMILESCC(CN)=C1CC(C)(C)OC1(C)C
InChIInChI=1S/C11H21NO/c1-8(7-12)9-6-10(2,3)13-11(9,4)5/h6-7,12H2,1-5H3
InChIKeyKPQYCAHXQMWSBH-UHFFFAOYSA-N
XLogP2.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.24
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)propan-1-amine?
The IUPAC name of 2-(2,2,5,5-tetramethyloxolan-3-ylidene)propan-1-amine (CID 103392271) is 2-(2,2,5,5-tetramethyloxolan-3-ylidene)propan-1-amine.
What is the SMILES notation for 2-(2,2,5,5-tetramethyloxolan-3-ylidene)propan-1-amine?
The canonical SMILES for 2-(2,2,5,5-tetramethyloxolan-3-ylidene)propan-1-amine is CC(CN)=C1CC(C)(C)OC1(C)C.
What is the InChIKey of 2-(2,2,5,5-tetramethyloxolan-3-ylidene)propan-1-amine?
The InChIKey is KPQYCAHXQMWSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-8(7-12)9-6-10(2,3)13-11(9,4)5/h6-7,12H2,1-5H3.
What are the key properties of 2-(2,2,5,5-tetramethyloxolan-3-ylidene)propan-1-amine?
2-(2,2,5,5-tetramethyloxolan-3-ylidene)propan-1-amine has a molecular weight of 183.29 g/mol, XLogP of 2.24, 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)propan-1-amine is sourced from PubChem (CID 103392271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).