3,3,5,5-tetramethylazepane

C10H21N — CID 54129538

IUPAC3,3,5,5-tetramethylazepane
SMILESCC1(C)CCNCC(C)(C)C1
InChIInChI=1S/C10H21N/c1-9(2)5-6-11-8-10(3,4)7-9/h11H,5-8H2,1-4H3
InChIKeyAZVHSOYMWGRZQQ-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.42
Rot. Bonds

About 3,3,5,5-tetramethylazepane

3,3,5,5-tetramethylazepane (PubChem CID 54129538) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is 3,3,5,5-tetramethylazepane.

Molecular Properties

Compound Name3,3,5,5-tetramethylazepane
PubChem CID54129538
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name3,3,5,5-tetramethylazepane
SMILESCC1(C)CCNCC(C)(C)C1
InChIInChI=1S/C10H21N/c1-9(2)5-6-11-8-10(3,4)7-9/h11H,5-8H2,1-4H3
InChIKeyAZVHSOYMWGRZQQ-UHFFFAOYSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,3,5,5-tetramethylazepane 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

6,6-dimethyl-1,4-diazocane
CID 139442519
3,3-dimethylpyrrolidine;hydroiodide
CID 173023387
6,6-dimethyl-1,4,8,11-tetrazacyclotetradecane
CID 12710191
3,3-dimethylazocane;methane
CID 144639099
2,8-diazaspiro[4.5]decane;ethane
CID 143048064
ethane;(3S)-3-methylpyrrolidine-3-carbonitrile
CID 172607347
ethane;4-fluoro-4-methylpiperidine
CID 142139578
(3S)-3-methyl-3-methylsulfanylpyrrolidine
CID 146248048
(3S)-3-methoxy-3-methylpyrrolidine
CID 98774544
5,5,8,8-tetramethyl-azacycloundecane
CID 154959364
2,7-diazaspiro[3.4]octane;ethane
CID 143687523
2,7-diazaspiro[3.4]octane;ethane
CID 171068778

Frequently Asked Questions

What is the IUPAC name of 3,3,5,5-tetramethylazepane?
The IUPAC name of 3,3,5,5-tetramethylazepane (CID 54129538) is 3,3,5,5-tetramethylazepane.
What is the SMILES notation for 3,3,5,5-tetramethylazepane?
The canonical SMILES for 3,3,5,5-tetramethylazepane is CC1(C)CCNCC(C)(C)C1.
What is the InChIKey of 3,3,5,5-tetramethylazepane?
The InChIKey is AZVHSOYMWGRZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-9(2)5-6-11-8-10(3,4)7-9/h11H,5-8H2,1-4H3.
What are the key properties of 3,3,5,5-tetramethylazepane?
3,3,5,5-tetramethylazepane has a molecular weight of 155.28 g/mol, XLogP of 2.42, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5-tetramethylazepane is sourced from PubChem (CID 54129538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).