4-ethyl-4-methyl-6-(2-methylpentan-2-yl)azepine

C15H25N — CID 123208721

IUPAC4-ethyl-4-methyl-6-(2-methylpentan-2-yl)azepine
SMILESCCCC(C)(C)C1=CC(C)(CC)C=CN=C1
InChIInChI=1S/C15H25N/c1-6-8-14(3,4)13-11-15(5,7-2)9-10-16-12-13/h9-12H,6-8H2,1-5H3
InChIKeyCVHYBUIMQFZNNA-UHFFFAOYSA-N
MW219.37 g/mol
LogP4.75
Rot. Bonds4

About 4-ethyl-4-methyl-6-(2-methylpentan-2-yl)azepine

4-ethyl-4-methyl-6-(2-methylpentan-2-yl)azepine (PubChem CID 123208721) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 4-ethyl-4-methyl-6-(2-methylpentan-2-yl)azepine.

Molecular Properties

Compound Name4-ethyl-4-methyl-6-(2-methylpentan-2-yl)azepine
PubChem CID123208721
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name4-ethyl-4-methyl-6-(2-methylpentan-2-yl)azepine
SMILESCCCC(C)(C)C1=CC(C)(CC)C=CN=C1
InChIInChI=1S/C15H25N/c1-6-8-14(3,4)13-11-15(5,7-2)9-10-16-12-13/h9-12H,6-8H2,1-5H3
InChIKeyCVHYBUIMQFZNNA-UHFFFAOYSA-N
XLogP4.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.75
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
4,4-Dimethyl-6-(2-methylpentan-2-yl)azepine
CID 123277906
3-Hexan-3-yl-3-methylazepine
CID 123398492

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-methyl-6-(2-methylpentan-2-yl)azepine?
The IUPAC name of 4-ethyl-4-methyl-6-(2-methylpentan-2-yl)azepine (CID 123208721) is 4-ethyl-4-methyl-6-(2-methylpentan-2-yl)azepine.
What is the SMILES notation for 4-ethyl-4-methyl-6-(2-methylpentan-2-yl)azepine?
The canonical SMILES for 4-ethyl-4-methyl-6-(2-methylpentan-2-yl)azepine is CCCC(C)(C)C1=CC(C)(CC)C=CN=C1.
What is the InChIKey of 4-ethyl-4-methyl-6-(2-methylpentan-2-yl)azepine?
The InChIKey is CVHYBUIMQFZNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-6-8-14(3,4)13-11-15(5,7-2)9-10-16-12-13/h9-12H,6-8H2,1-5H3.
What are the key properties of 4-ethyl-4-methyl-6-(2-methylpentan-2-yl)azepine?
4-ethyl-4-methyl-6-(2-methylpentan-2-yl)azepine has a molecular weight of 219.37 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-methyl-6-(2-methylpentan-2-yl)azepine is sourced from PubChem (CID 123208721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).