ethane;6-methyl-5H-1,4-diazepine

C8H14N2 — CID 144574740

IUPACethane;6-methyl-5H-1,4-diazepine
SMILESCC.CC1=CN=CC=NC1
InChIInChI=1S/C6H8N2.C2H6/c1-6-4-7-2-3-8-5-6;1-2/h2-4H,5H2,1H3;1-2H3
InChIKeyDSUFUXJFPLCZGF-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.07
Rot. Bonds

About ethane;6-methyl-5H-1,4-diazepine

ethane;6-methyl-5H-1,4-diazepine (PubChem CID 144574740) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is ethane;6-methyl-5H-1,4-diazepine.

Molecular Properties

Compound Nameethane;6-methyl-5H-1,4-diazepine
PubChem CID144574740
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Nameethane;6-methyl-5H-1,4-diazepine
SMILESCC.CC1=CN=CC=NC1
InChIInChI=1S/C6H8N2.C2H6/c1-6-4-7-2-3-8-5-6;1-2/h2-4H,5H2,1H3;1-2H3
InChIKeyDSUFUXJFPLCZGF-UHFFFAOYSA-N
XLogP2.07
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-5H-1,4-diazepine?
The IUPAC name of ethane;6-methyl-5H-1,4-diazepine (CID 144574740) is ethane;6-methyl-5H-1,4-diazepine.
What is the SMILES notation for ethane;6-methyl-5H-1,4-diazepine?
The canonical SMILES for ethane;6-methyl-5H-1,4-diazepine is CC.CC1=CN=CC=NC1.
What is the InChIKey of ethane;6-methyl-5H-1,4-diazepine?
The InChIKey is DSUFUXJFPLCZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2.C2H6/c1-6-4-7-2-3-8-5-6;1-2/h2-4H,5H2,1H3;1-2H3.
What are the key properties of ethane;6-methyl-5H-1,4-diazepine?
ethane;6-methyl-5H-1,4-diazepine has a molecular weight of 138.21 g/mol, XLogP of 2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-5H-1,4-diazepine is sourced from PubChem (CID 144574740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).