7-ethyl-4,5-dimethyl-3,4-dihydro-2H-azepine

C10H17N — CID 91167971

IUPAC7-ethyl-4,5-dimethyl-3,4-dihydro-2H-azepine
SMILESCCC1=NCCC(C)C(C)=C1
InChIInChI=1S/C10H17N/c1-4-10-7-9(3)8(2)5-6-11-10/h7-8H,4-6H2,1-3H3
InChIKeyUWBFNOVJKYVELC-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.82
Rot. Bonds1

About 7-ethyl-4,5-dimethyl-3,4-dihydro-2H-azepine

7-ethyl-4,5-dimethyl-3,4-dihydro-2H-azepine (PubChem CID 91167971) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 7-ethyl-4,5-dimethyl-3,4-dihydro-2H-azepine.

Molecular Properties

Compound Name7-ethyl-4,5-dimethyl-3,4-dihydro-2H-azepine
PubChem CID91167971
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name7-ethyl-4,5-dimethyl-3,4-dihydro-2H-azepine
SMILESCCC1=NCCC(C)C(C)=C1
InChIInChI=1S/C10H17N/c1-4-10-7-9(3)8(2)5-6-11-10/h7-8H,4-6H2,1-3H3
InChIKeyUWBFNOVJKYVELC-UHFFFAOYSA-N
XLogP2.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,3S)-3-ethyl-6-fluoro-2,7-dimethyl-3,4-dihydro-2H-azepine
CID 156404278
5-Ethenyl-4-ethylidene-2,3-dihydropyrrole
CID 90829219
3,5-di(propan-2-yl)-2H-pyrrole
CID 59519975
(2R,3R)-2,3,4,5,6-pentamethyl-2,3-dihydropyridine
CID 60123253
3,6-dimethyl-4-propan-2-yl-3,4-dihydro-2H-azepine
CID 68344127
4-(2,4-dimethylpentyl)-6-ethyl-7-methyl-3,4-dihydro-2H-azepine
CID 70894676
2,3,4,5,6-Pentamethyl-2,3-dihydropyridine
CID 72655827
1-cyclopropyl-3-methyl-N-propylbut-2-en-1-imine
CID 89066210
7-ethyl-4-methyl-3,4-dihydro-2H-azepine
CID 89227477
(3S)-3-methyl-7-[(4S)-4-methylcyclohepta-1,6-dien-1-yl]-3,4-dihydro-2H-azepine
CID 90396298
4-Methyl-6-propan-2-yl-2,3-dihydropyridine
CID 90745875
5-methyl-3,7-di(propan-2-yl)-4H-azepine
CID 90769078

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-4,5-dimethyl-3,4-dihydro-2H-azepine?
The IUPAC name of 7-ethyl-4,5-dimethyl-3,4-dihydro-2H-azepine (CID 91167971) is 7-ethyl-4,5-dimethyl-3,4-dihydro-2H-azepine.
What is the SMILES notation for 7-ethyl-4,5-dimethyl-3,4-dihydro-2H-azepine?
The canonical SMILES for 7-ethyl-4,5-dimethyl-3,4-dihydro-2H-azepine is CCC1=NCCC(C)C(C)=C1.
What is the InChIKey of 7-ethyl-4,5-dimethyl-3,4-dihydro-2H-azepine?
The InChIKey is UWBFNOVJKYVELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-4-10-7-9(3)8(2)5-6-11-10/h7-8H,4-6H2,1-3H3.
What are the key properties of 7-ethyl-4,5-dimethyl-3,4-dihydro-2H-azepine?
7-ethyl-4,5-dimethyl-3,4-dihydro-2H-azepine has a molecular weight of 151.25 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-4,5-dimethyl-3,4-dihydro-2H-azepine is sourced from PubChem (CID 91167971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).