2,3-diethyl-7-methyl-5,6,7,8-tetrahydrocyclopenta[e][1,4]diazepine

C13H20N2 — CID 142946803

IUPAC2,3-diethyl-7-methyl-5,6,7,8-tetrahydrocyclopenta[e][1,4]diazepine
SMILESCCC1=NCC2=C(CC(C)C2)N=C1CC
InChIInChI=1S/C13H20N2/c1-4-11-12(5-2)15-13-7-9(3)6-10(13)8-14-11/h9H,4-8H2,1-3H3
InChIKeyMEMXZDGLDBRJSP-UHFFFAOYSA-N
MW204.32 g/mol
LogP3.39
Rot. Bonds2

About 2,3-diethyl-7-methyl-5,6,7,8-tetrahydrocyclopenta[e][1,4]diazepine

2,3-diethyl-7-methyl-5,6,7,8-tetrahydrocyclopenta[e][1,4]diazepine (PubChem CID 142946803) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 2,3-diethyl-7-methyl-5,6,7,8-tetrahydrocyclopenta[e][1,4]diazepine.

Molecular Properties

Compound Name2,3-diethyl-7-methyl-5,6,7,8-tetrahydrocyclopenta[e][1,4]diazepine
PubChem CID142946803
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name2,3-diethyl-7-methyl-5,6,7,8-tetrahydrocyclopenta[e][1,4]diazepine
SMILESCCC1=NCC2=C(CC(C)C2)N=C1CC
InChIInChI=1S/C13H20N2/c1-4-11-12(5-2)15-13-7-9(3)6-10(13)8-14-11/h9H,4-8H2,1-3H3
InChIKeyMEMXZDGLDBRJSP-UHFFFAOYSA-N
XLogP3.39
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-diethyl-7-methyl-5,6,7,8-tetrahydrocyclopenta[e][1,4]diazepine?
The IUPAC name of 2,3-diethyl-7-methyl-5,6,7,8-tetrahydrocyclopenta[e][1,4]diazepine (CID 142946803) is 2,3-diethyl-7-methyl-5,6,7,8-tetrahydrocyclopenta[e][1,4]diazepine.
What is the SMILES notation for 2,3-diethyl-7-methyl-5,6,7,8-tetrahydrocyclopenta[e][1,4]diazepine?
The canonical SMILES for 2,3-diethyl-7-methyl-5,6,7,8-tetrahydrocyclopenta[e][1,4]diazepine is CCC1=NCC2=C(CC(C)C2)N=C1CC.
What is the InChIKey of 2,3-diethyl-7-methyl-5,6,7,8-tetrahydrocyclopenta[e][1,4]diazepine?
The InChIKey is MEMXZDGLDBRJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-4-11-12(5-2)15-13-7-9(3)6-10(13)8-14-11/h9H,4-8H2,1-3H3.
What are the key properties of 2,3-diethyl-7-methyl-5,6,7,8-tetrahydrocyclopenta[e][1,4]diazepine?
2,3-diethyl-7-methyl-5,6,7,8-tetrahydrocyclopenta[e][1,4]diazepine has a molecular weight of 204.32 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-7-methyl-5,6,7,8-tetrahydrocyclopenta[e][1,4]diazepine is sourced from PubChem (CID 142946803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).