2-(2,2,5,5-tetramethyloxolan-3-yl)azepane

C14H27NO — CID 114624050

IUPAC2-(2,2,5,5-tetramethyloxolan-3-yl)azepane
SMILESCC1(C)CC(C2CCCCCN2)C(C)(C)O1
InChIInChI=1S/C14H27NO/c1-13(2)10-11(14(3,4)16-13)12-8-6-5-7-9-15-12/h11-12,15H,5-10H2,1-4H3
InChIKeyBNPMGWQKWWTELT-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.11
Rot. Bonds1

About 2-(2,2,5,5-tetramethyloxolan-3-yl)azepane

2-(2,2,5,5-tetramethyloxolan-3-yl)azepane (PubChem CID 114624050) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-(2,2,5,5-tetramethyloxolan-3-yl)azepane.

Molecular Properties

Compound Name2-(2,2,5,5-tetramethyloxolan-3-yl)azepane
PubChem CID114624050
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2-(2,2,5,5-tetramethyloxolan-3-yl)azepane
SMILESCC1(C)CC(C2CCCCCN2)C(C)(C)O1
InChIInChI=1S/C14H27NO/c1-13(2)10-11(14(3,4)16-13)12-8-6-5-7-9-15-12/h11-12,15H,5-10H2,1-4H3
InChIKeyBNPMGWQKWWTELT-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,2,5,5-tetramethyloxolan-3-yl)azepane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-pyrrolidin-2-yl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine
CID 79927218
3-(2-chlorocyclohexyl)-2,2,5,5-tetramethyloxolane
CID 114623939
5-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-2-carboxylic acid
CID 114624048
2-pyrrolidin-2-ylpiperidine
CID 14810994
3-(2,2,5,5-tetramethyloxolan-3-yl)cycloheptan-1-ol
CID 114624248
2-(2-fluoro-2-methylcyclopentyl)piperidine
CID 131137648
(2S)-2-cyclohexylpiperidine
CID 7016471
2-cyclodecylazecane
CID 126739440
2-(3,3-difluorocyclobutyl)azepane
CID 130834422
2,2,5,5-tetramethyl-N-(piperidin-2-ylmethyl)-N-propyloxolan-3-amine
CID 106623281
2-cycloheptylpiperidine;hydrochloride
CID 115030388
2-(2,2,5,5-tetramethyloxolan-3-yl)cyclopentan-1-one
CID 114621794

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,5,5-tetramethyloxolan-3-yl)azepane?
The IUPAC name of 2-(2,2,5,5-tetramethyloxolan-3-yl)azepane (CID 114624050) is 2-(2,2,5,5-tetramethyloxolan-3-yl)azepane.
What is the SMILES notation for 2-(2,2,5,5-tetramethyloxolan-3-yl)azepane?
The canonical SMILES for 2-(2,2,5,5-tetramethyloxolan-3-yl)azepane is CC1(C)CC(C2CCCCCN2)C(C)(C)O1.
What is the InChIKey of 2-(2,2,5,5-tetramethyloxolan-3-yl)azepane?
The InChIKey is BNPMGWQKWWTELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-13(2)10-11(14(3,4)16-13)12-8-6-5-7-9-15-12/h11-12,15H,5-10H2,1-4H3.
What are the key properties of 2-(2,2,5,5-tetramethyloxolan-3-yl)azepane?
2-(2,2,5,5-tetramethyloxolan-3-yl)azepane has a molecular weight of 225.38 g/mol, XLogP of 3.11, 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-yl)azepane is sourced from PubChem (CID 114624050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).