7-ethyl-2,3-dimethyl-3,4-dihydrodiazepine

C9H16N2 — CID 134257675

IUPAC7-ethyl-2,3-dimethyl-3,4-dihydrodiazepine
SMILESCCC1=NN(C)C(C)CC=C1
InChIInChI=1S/C9H16N2/c1-4-9-7-5-6-8(2)11(3)10-9/h5,7-8H,4,6H2,1-3H3
InChIKeyGGLOBIFGDQHNRJ-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.03
Rot. Bonds1

About 7-ethyl-2,3-dimethyl-3,4-dihydrodiazepine

7-ethyl-2,3-dimethyl-3,4-dihydrodiazepine (PubChem CID 134257675) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 7-ethyl-2,3-dimethyl-3,4-dihydrodiazepine.

Molecular Properties

Compound Name7-ethyl-2,3-dimethyl-3,4-dihydrodiazepine
PubChem CID134257675
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name7-ethyl-2,3-dimethyl-3,4-dihydrodiazepine
SMILESCCC1=NN(C)C(C)CC=C1
InChIInChI=1S/C9H16N2/c1-4-9-7-5-6-8(2)11(3)10-9/h5,7-8H,4,6H2,1-3H3
InChIKeyGGLOBIFGDQHNRJ-UHFFFAOYSA-N
XLogP2.03
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2,3-dimethyl-3,4-dihydrodiazepine?
The IUPAC name of 7-ethyl-2,3-dimethyl-3,4-dihydrodiazepine (CID 134257675) is 7-ethyl-2,3-dimethyl-3,4-dihydrodiazepine.
What is the SMILES notation for 7-ethyl-2,3-dimethyl-3,4-dihydrodiazepine?
The canonical SMILES for 7-ethyl-2,3-dimethyl-3,4-dihydrodiazepine is CCC1=NN(C)C(C)CC=C1.
What is the InChIKey of 7-ethyl-2,3-dimethyl-3,4-dihydrodiazepine?
The InChIKey is GGLOBIFGDQHNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-4-9-7-5-6-8(2)11(3)10-9/h5,7-8H,4,6H2,1-3H3.
What are the key properties of 7-ethyl-2,3-dimethyl-3,4-dihydrodiazepine?
7-ethyl-2,3-dimethyl-3,4-dihydrodiazepine has a molecular weight of 152.24 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2,3-dimethyl-3,4-dihydrodiazepine is sourced from PubChem (CID 134257675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).