ethane;methane;4-methyl-4,5-dihydro-3H-azepine

C10H21N — CID 142335455

IUPACethane;methane;4-methyl-4,5-dihydro-3H-azepine
SMILESC.CC.CC1CC=CN=CC1
InChIInChI=1S/C7H11N.C2H6.CH4/c1-7-3-2-5-8-6-4-7;1-2;/h2,5-7H,3-4H2,1H3;1-2H3;1H4
InChIKeyWSDGDOXAZJKZFB-UHFFFAOYSA-N
MW155.28 g/mol
LogP3.66
Rot. Bonds

About ethane;methane;4-methyl-4,5-dihydro-3H-azepine

ethane;methane;4-methyl-4,5-dihydro-3H-azepine (PubChem CID 142335455) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is ethane;methane;4-methyl-4,5-dihydro-3H-azepine.

Molecular Properties

Compound Nameethane;methane;4-methyl-4,5-dihydro-3H-azepine
PubChem CID142335455
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Nameethane;methane;4-methyl-4,5-dihydro-3H-azepine
SMILESC.CC.CC1CC=CN=CC1
InChIInChI=1S/C7H11N.C2H6.CH4/c1-7-3-2-5-8-6-4-7;1-2;/h2,5-7H,3-4H2,1H3;1-2H3;1H4
InChIKeyWSDGDOXAZJKZFB-UHFFFAOYSA-N
XLogP3.66
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;methane;4-methyl-4,5-dihydro-3H-azepine?
The IUPAC name of ethane;methane;4-methyl-4,5-dihydro-3H-azepine (CID 142335455) is ethane;methane;4-methyl-4,5-dihydro-3H-azepine.
What is the SMILES notation for ethane;methane;4-methyl-4,5-dihydro-3H-azepine?
The canonical SMILES for ethane;methane;4-methyl-4,5-dihydro-3H-azepine is C.CC.CC1CC=CN=CC1.
What is the InChIKey of ethane;methane;4-methyl-4,5-dihydro-3H-azepine?
The InChIKey is WSDGDOXAZJKZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N.C2H6.CH4/c1-7-3-2-5-8-6-4-7;1-2;/h2,5-7H,3-4H2,1H3;1-2H3;1H4.
What are the key properties of ethane;methane;4-methyl-4,5-dihydro-3H-azepine?
ethane;methane;4-methyl-4,5-dihydro-3H-azepine has a molecular weight of 155.28 g/mol, XLogP of 3.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;4-methyl-4,5-dihydro-3H-azepine is sourced from PubChem (CID 142335455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).