3-ethyl-3,5-dimethyl-7-pentan-3-ylazepine

C15H25N — CID 90861129

IUPAC3-ethyl-3,5-dimethyl-7-pentan-3-ylazepine
SMILESCCC(CC)C1=CC(C)=CC(C)(CC)C=N1
InChIInChI=1S/C15H25N/c1-6-13(7-2)14-9-12(4)10-15(5,8-3)11-16-14/h9-11,13H,6-8H2,1-5H3
InChIKeyAOUNBUXISRQDFP-UHFFFAOYSA-N
MW219.37 g/mol
LogP4.75
Rot. Bonds4

About 3-ethyl-3,5-dimethyl-7-pentan-3-ylazepine

3-ethyl-3,5-dimethyl-7-pentan-3-ylazepine (PubChem CID 90861129) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 3-ethyl-3,5-dimethyl-7-pentan-3-ylazepine.

Molecular Properties

Compound Name3-ethyl-3,5-dimethyl-7-pentan-3-ylazepine
PubChem CID90861129
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name3-ethyl-3,5-dimethyl-7-pentan-3-ylazepine
SMILESCCC(CC)C1=CC(C)=CC(C)(CC)C=N1
InChIInChI=1S/C15H25N/c1-6-13(7-2)14-9-12(4)10-15(5,8-3)11-16-14/h9-11,13H,6-8H2,1-5H3
InChIKeyAOUNBUXISRQDFP-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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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3,5-dimethyl-7-pentan-3-ylazepine?
The IUPAC name of 3-ethyl-3,5-dimethyl-7-pentan-3-ylazepine (CID 90861129) is 3-ethyl-3,5-dimethyl-7-pentan-3-ylazepine.
What is the SMILES notation for 3-ethyl-3,5-dimethyl-7-pentan-3-ylazepine?
The canonical SMILES for 3-ethyl-3,5-dimethyl-7-pentan-3-ylazepine is CCC(CC)C1=CC(C)=CC(C)(CC)C=N1.
What is the InChIKey of 3-ethyl-3,5-dimethyl-7-pentan-3-ylazepine?
The InChIKey is AOUNBUXISRQDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-6-13(7-2)14-9-12(4)10-15(5,8-3)11-16-14/h9-11,13H,6-8H2,1-5H3.
What are the key properties of 3-ethyl-3,5-dimethyl-7-pentan-3-ylazepine?
3-ethyl-3,5-dimethyl-7-pentan-3-ylazepine 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 3-ethyl-3,5-dimethyl-7-pentan-3-ylazepine is sourced from PubChem (CID 90861129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).