4-(2,2,5,5-tetramethyloxolan-3-ylidene)azepane

C14H25NO — CID 104940363

IUPAC4-(2,2,5,5-tetramethyloxolan-3-ylidene)azepane
SMILESCC1(C)CC(=C2CCCNCC2)C(C)(C)O1
InChIInChI=1S/C14H25NO/c1-13(2)10-12(14(3,4)16-13)11-6-5-8-15-9-7-11/h15H,5-10H2,1-4H3
InChIKeyDVUSAQLMVBMBCI-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.03
Rot. Bonds

About 4-(2,2,5,5-tetramethyloxolan-3-ylidene)azepane

4-(2,2,5,5-tetramethyloxolan-3-ylidene)azepane (PubChem CID 104940363) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 4-(2,2,5,5-tetramethyloxolan-3-ylidene)azepane.

Molecular Properties

Compound Name4-(2,2,5,5-tetramethyloxolan-3-ylidene)azepane
PubChem CID104940363
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name4-(2,2,5,5-tetramethyloxolan-3-ylidene)azepane
SMILESCC1(C)CC(=C2CCCNCC2)C(C)(C)O1
InChIInChI=1S/C14H25NO/c1-13(2)10-12(14(3,4)16-13)11-6-5-8-15-9-7-11/h15H,5-10H2,1-4H3
InChIKeyDVUSAQLMVBMBCI-UHFFFAOYSA-N
XLogP3.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(Oxolan-3-ylidene)azepane
CID 103983719
3-(2,2,5,5-Tetramethyloxolan-3-ylidene)piperidine
CID 104940359
3-(2,2,5,5-Tetramethyloxolan-3-ylidene)pyrrolidine
CID 104940360
4-(2,2,5,5-Tetramethyloxolan-3-ylidene)piperidine
CID 114624411
(4Z)-4-[(5,5-dimethyloxolan-2-yl)methylidene]azepane
CID 116525442
(3E)-3-(2,2,5,5-tetramethyloxolan-3-ylidene)pyrrolidine
CID 133673669

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,5,5-tetramethyloxolan-3-ylidene)azepane?
The IUPAC name of 4-(2,2,5,5-tetramethyloxolan-3-ylidene)azepane (CID 104940363) is 4-(2,2,5,5-tetramethyloxolan-3-ylidene)azepane.
What is the SMILES notation for 4-(2,2,5,5-tetramethyloxolan-3-ylidene)azepane?
The canonical SMILES for 4-(2,2,5,5-tetramethyloxolan-3-ylidene)azepane is CC1(C)CC(=C2CCCNCC2)C(C)(C)O1.
What is the InChIKey of 4-(2,2,5,5-tetramethyloxolan-3-ylidene)azepane?
The InChIKey is DVUSAQLMVBMBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-13(2)10-12(14(3,4)16-13)11-6-5-8-15-9-7-11/h15H,5-10H2,1-4H3.
What are the key properties of 4-(2,2,5,5-tetramethyloxolan-3-ylidene)azepane?
4-(2,2,5,5-tetramethyloxolan-3-ylidene)azepane has a molecular weight of 223.36 g/mol, XLogP of 3.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,5,5-tetramethyloxolan-3-ylidene)azepane is sourced from PubChem (CID 104940363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).