ethane;2-methyl-3H-azepine

C9H15N — CID 143383332

IUPACethane;2-methyl-3H-azepine
SMILESCC.CC1=NC=CC=CC1
InChIInChI=1S/C7H9N.C2H6/c1-7-5-3-2-4-6-8-7;1-2/h2-4,6H,5H2,1H3;1-2H3
InChIKeySVKUZMAXTUZFQM-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.95
Rot. Bonds

About ethane;2-methyl-3H-azepine

ethane;2-methyl-3H-azepine (PubChem CID 143383332) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is ethane;2-methyl-3H-azepine.

Molecular Properties

Compound Nameethane;2-methyl-3H-azepine
PubChem CID143383332
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Nameethane;2-methyl-3H-azepine
SMILESCC.CC1=NC=CC=CC1
InChIInChI=1S/C7H9N.C2H6/c1-7-5-3-2-4-6-8-7;1-2/h2-4,6H,5H2,1H3;1-2H3
InChIKeySVKUZMAXTUZFQM-UHFFFAOYSA-N
XLogP2.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,7-dimethyl-3H-azepine
CID 21672375
2-methyl-3H-azepine
CID 23594836
2-Pentylazocine
CID 57095178
Methyl(ethyl) 3h azepine
CID 91189360
ethane;5-ethyl-2-(trifluoromethyl)-3H-azepine
CID 143347099
ethane;5-methyl-2-(trifluoromethyl)-3H-azepine
CID 143347215
6-[(E)-1-fluoroprop-1-enyl]-5,7-dimethyl-4H-azepine
CID 144030424
(3Z,5E)-5-fluoro-N-[(Z)-prop-1-enyl]hepta-3,5-dien-2-imine
CID 144296874
(5Z,7E)-7-fluoro-2-methyl-3,4-dihydroazocine
CID 166689655
2,5-di(propan-2-yl)-3H-azepine
CID 10241356
2,5-dimethyl-3H-azepine
CID 11819081
1-(3,6-difluoro-4-methylcyclohepta-1,3,6-trien-1-yl)-N-ethenylpropan-1-imine
CID 142120016

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-3H-azepine?
The IUPAC name of ethane;2-methyl-3H-azepine (CID 143383332) is ethane;2-methyl-3H-azepine.
What is the SMILES notation for ethane;2-methyl-3H-azepine?
The canonical SMILES for ethane;2-methyl-3H-azepine is CC.CC1=NC=CC=CC1.
What is the InChIKey of ethane;2-methyl-3H-azepine?
The InChIKey is SVKUZMAXTUZFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.C2H6/c1-7-5-3-2-4-6-8-7;1-2/h2-4,6H,5H2,1H3;1-2H3.
What are the key properties of ethane;2-methyl-3H-azepine?
ethane;2-methyl-3H-azepine has a molecular weight of 137.23 g/mol, XLogP of 2.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-3H-azepine is sourced from PubChem (CID 143383332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).