1-ethyl-4-methyl-1,4-diazepane

C8H18N2 — CID 22165959

IUPAC1-ethyl-4-methyl-1,4-diazepane
SMILESCCN1CCCN(C)CC1
InChIInChI=1S/C8H18N2/c1-3-10-6-4-5-9(2)7-8-10/h3-8H2,1-2H3
InChIKeyIMJVLUBQARFYHA-UHFFFAOYSA-N
MW142.25 g/mol
LogP0.64
Rot. Bonds1

About 1-ethyl-4-methyl-1,4-diazepane

1-ethyl-4-methyl-1,4-diazepane (PubChem CID 22165959) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 1-ethyl-4-methyl-1,4-diazepane.

Molecular Properties

Compound Name1-ethyl-4-methyl-1,4-diazepane
PubChem CID22165959
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name1-ethyl-4-methyl-1,4-diazepane
SMILESCCN1CCCN(C)CC1
InChIInChI=1S/C8H18N2/c1-3-10-6-4-5-9(2)7-8-10/h3-8H2,1-2H3
InChIKeyIMJVLUBQARFYHA-UHFFFAOYSA-N
XLogP0.64
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methyl-1,4-diazepane?
The IUPAC name of 1-ethyl-4-methyl-1,4-diazepane (CID 22165959) is 1-ethyl-4-methyl-1,4-diazepane.
What is the SMILES notation for 1-ethyl-4-methyl-1,4-diazepane?
The canonical SMILES for 1-ethyl-4-methyl-1,4-diazepane is CCN1CCCN(C)CC1.
What is the InChIKey of 1-ethyl-4-methyl-1,4-diazepane?
The InChIKey is IMJVLUBQARFYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-3-10-6-4-5-9(2)7-8-10/h3-8H2,1-2H3.
What are the key properties of 1-ethyl-4-methyl-1,4-diazepane?
1-ethyl-4-methyl-1,4-diazepane has a molecular weight of 142.25 g/mol, XLogP of 0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methyl-1,4-diazepane is sourced from PubChem (CID 22165959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).