4,4-dimethyl-6-(2-methylpentan-2-yl)azepine

C14H23N — CID 123277906

IUPAC4,4-dimethyl-6-(2-methylpentan-2-yl)azepine
SMILESCCCC(C)(C)C1=CC(C)(C)C=CN=C1
InChIInChI=1S/C14H23N/c1-6-7-14(4,5)12-10-13(2,3)8-9-15-11-12/h8-11H,6-7H2,1-5H3
InChIKeyUEOZKGZKJAUJTH-UHFFFAOYSA-N
MW205.34 g/mol
LogP4.36
Rot. Bonds3

About 4,4-dimethyl-6-(2-methylpentan-2-yl)azepine

4,4-dimethyl-6-(2-methylpentan-2-yl)azepine (PubChem CID 123277906) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 4,4-dimethyl-6-(2-methylpentan-2-yl)azepine.

Molecular Properties

Compound Name4,4-dimethyl-6-(2-methylpentan-2-yl)azepine
PubChem CID123277906
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name4,4-dimethyl-6-(2-methylpentan-2-yl)azepine
SMILESCCCC(C)(C)C1=CC(C)(C)C=CN=C1
InChIInChI=1S/C14H23N/c1-6-7-14(4,5)12-10-13(2,3)8-9-15-11-12/h8-11H,6-7H2,1-5H3
InChIKeyUEOZKGZKJAUJTH-UHFFFAOYSA-N
XLogP4.36
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,6-ditert-butyl-4H-azepine
CID 14927387
6-(2,2-dimethylpropyl)-7-methyl-4H-azepine
CID 67560950
9,9-dipropyl-5,8-dihydro-4H-azecine
CID 70546472
5-Tert-butyl-3,3-dimethylazepine
CID 89070578
3,4-dimethyl-6-(1-methylcyclopropyl)-4H-azepine
CID 90871591
2,4,6-Trimethyl-4-(3-methylbutyl)azepine
CID 91154019
3-Methyl-3-propan-2-yl-4-propylazepine
CID 91291807
3-Heptan-4-yl-3-methylazepine
CID 91391155
(Z)-N-(4,4-dimethylpent-1-enyl)-2-methylbut-2-en-1-imine
CID 91402132
4,5-dimethyl-6-propan-2-yl-4H-azepine
CID 123169431
4-Ethyl-4-methyl-6-(2-methylpentan-2-yl)azepine
CID 123208721
3-Hexan-3-yl-3-methylazepine
CID 123398492

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-6-(2-methylpentan-2-yl)azepine?
The IUPAC name of 4,4-dimethyl-6-(2-methylpentan-2-yl)azepine (CID 123277906) is 4,4-dimethyl-6-(2-methylpentan-2-yl)azepine.
What is the SMILES notation for 4,4-dimethyl-6-(2-methylpentan-2-yl)azepine?
The canonical SMILES for 4,4-dimethyl-6-(2-methylpentan-2-yl)azepine is CCCC(C)(C)C1=CC(C)(C)C=CN=C1.
What is the InChIKey of 4,4-dimethyl-6-(2-methylpentan-2-yl)azepine?
The InChIKey is UEOZKGZKJAUJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-6-7-14(4,5)12-10-13(2,3)8-9-15-11-12/h8-11H,6-7H2,1-5H3.
What are the key properties of 4,4-dimethyl-6-(2-methylpentan-2-yl)azepine?
4,4-dimethyl-6-(2-methylpentan-2-yl)azepine has a molecular weight of 205.34 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-6-(2-methylpentan-2-yl)azepine is sourced from PubChem (CID 123277906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).