ethane;methane;3-methyl-6,7-dihydro-5H-imidazo[1,2-a]azepine

C14H28N2 — CID 142804526

IUPACethane;methane;3-methyl-6,7-dihydro-5H-imidazo[1,2-a]azepine
SMILESC.CC.CC.Cc1cnc2n1CCCC=C2
InChIInChI=1S/C9H12N2.2C2H6.CH4/c1-8-7-10-9-5-3-2-4-6-11(8)9;2*1-2;/h3,5,7H,2,4,6H2,1H3;2*1-2H3;1H4
InChIKeyOSBDIDJLJVHMPE-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.69
Rot. Bonds

About ethane;methane;3-methyl-6,7-dihydro-5H-imidazo[1,2-a]azepine

ethane;methane;3-methyl-6,7-dihydro-5H-imidazo[1,2-a]azepine (PubChem CID 142804526) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is ethane;methane;3-methyl-6,7-dihydro-5H-imidazo[1,2-a]azepine.

Molecular Properties

Compound Nameethane;methane;3-methyl-6,7-dihydro-5H-imidazo[1,2-a]azepine
PubChem CID142804526
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Nameethane;methane;3-methyl-6,7-dihydro-5H-imidazo[1,2-a]azepine
SMILESC.CC.CC.Cc1cnc2n1CCCC=C2
InChIInChI=1S/C9H12N2.2C2H6.CH4/c1-8-7-10-9-5-3-2-4-6-11(8)9;2*1-2;/h3,5,7H,2,4,6H2,1H3;2*1-2H3;1H4
InChIKeyOSBDIDJLJVHMPE-UHFFFAOYSA-N
XLogP4.69
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;methane;3-methyl-6,7-dihydro-5H-imidazo[1,2-a]azepine?
The IUPAC name of ethane;methane;3-methyl-6,7-dihydro-5H-imidazo[1,2-a]azepine (CID 142804526) is ethane;methane;3-methyl-6,7-dihydro-5H-imidazo[1,2-a]azepine.
What is the SMILES notation for ethane;methane;3-methyl-6,7-dihydro-5H-imidazo[1,2-a]azepine?
The canonical SMILES for ethane;methane;3-methyl-6,7-dihydro-5H-imidazo[1,2-a]azepine is C.CC.CC.Cc1cnc2n1CCCC=C2.
What is the InChIKey of ethane;methane;3-methyl-6,7-dihydro-5H-imidazo[1,2-a]azepine?
The InChIKey is OSBDIDJLJVHMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2.2C2H6.CH4/c1-8-7-10-9-5-3-2-4-6-11(8)9;2*1-2;/h3,5,7H,2,4,6H2,1H3;2*1-2H3;1H4.
What are the key properties of ethane;methane;3-methyl-6,7-dihydro-5H-imidazo[1,2-a]azepine?
ethane;methane;3-methyl-6,7-dihydro-5H-imidazo[1,2-a]azepine has a molecular weight of 224.39 g/mol, XLogP of 4.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;3-methyl-6,7-dihydro-5H-imidazo[1,2-a]azepine is sourced from PubChem (CID 142804526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).