5-ethyl-3-methyl-3,4-dihydro-2H-azepine

C9H15N — CID 123177987

IUPAC5-ethyl-3-methyl-3,4-dihydro-2H-azepine
SMILESCCC1=CC=NCC(C)C1
InChIInChI=1S/C9H15N/c1-3-9-4-5-10-7-8(2)6-9/h4-5,8H,3,6-7H2,1-2H3
InChIKeyKWVKWBJKBWMXSS-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.43
Rot. Bonds1

About 5-ethyl-3-methyl-3,4-dihydro-2H-azepine

5-ethyl-3-methyl-3,4-dihydro-2H-azepine (PubChem CID 123177987) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 5-ethyl-3-methyl-3,4-dihydro-2H-azepine.

Molecular Properties

Compound Name5-ethyl-3-methyl-3,4-dihydro-2H-azepine
PubChem CID123177987
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name5-ethyl-3-methyl-3,4-dihydro-2H-azepine
SMILESCCC1=CC=NCC(C)C1
InChIInChI=1S/C9H15N/c1-3-9-4-5-10-7-8(2)6-9/h4-5,8H,3,6-7H2,1-2H3
InChIKeyKWVKWBJKBWMXSS-UHFFFAOYSA-N
XLogP2.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-2-methyl-4-propan-2-yl-3H-pyridine
CID 135127173
(3S,7E)-8-(fluoromethyl)-3-methyl-3,4,5,6-tetrahydro-2H-azonine
CID 173998206
(S,e)-5-(2-methylbutylidene)-2,3,4,5-tetrahydropyridine
CID 129849200
4-ethyl-3,3-dimethyl-2H-pyridine
CID 21561178
2,6,9,9a-tetrahydro-1H-3-benzazepine
CID 54031920
3-(2,2-dimethylpropyl)-2H-pyrrole
CID 58234721
4-Tert-butyl-2,3-dihydropyridine
CID 59813250
5-methyl-3,4-dihydro-2H-azepine
CID 68099594
3,6-dimethyl-4-propan-2-yl-3,4-dihydro-2H-azepine
CID 68344127
3,6-dimethyl-3,4-dihydro-2H-azepine
CID 68383414
3-methyl-2-propan-2-yl-3,4-dihydro-2H-azepine
CID 69923477
(2Z)-2-ethylidene-N,4-dimethylhexan-1-imine
CID 87981822

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-methyl-3,4-dihydro-2H-azepine?
The IUPAC name of 5-ethyl-3-methyl-3,4-dihydro-2H-azepine (CID 123177987) is 5-ethyl-3-methyl-3,4-dihydro-2H-azepine.
What is the SMILES notation for 5-ethyl-3-methyl-3,4-dihydro-2H-azepine?
The canonical SMILES for 5-ethyl-3-methyl-3,4-dihydro-2H-azepine is CCC1=CC=NCC(C)C1.
What is the InChIKey of 5-ethyl-3-methyl-3,4-dihydro-2H-azepine?
The InChIKey is KWVKWBJKBWMXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-3-9-4-5-10-7-8(2)6-9/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of 5-ethyl-3-methyl-3,4-dihydro-2H-azepine?
5-ethyl-3-methyl-3,4-dihydro-2H-azepine has a molecular weight of 137.23 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-methyl-3,4-dihydro-2H-azepine is sourced from PubChem (CID 123177987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).