7-ethyl-2-methyl-3,4,5,6-tetrahydrodiazepine

C8H16N2 — CID 129299212

IUPAC7-ethyl-2-methyl-3,4,5,6-tetrahydrodiazepine
SMILESCCC1=NN(C)CCCC1
InChIInChI=1S/C8H16N2/c1-3-8-6-4-5-7-10(2)9-8/h3-7H2,1-2H3
InChIKeyOILFSSYEBHHKKC-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.87
Rot. Bonds1

About 7-ethyl-2-methyl-3,4,5,6-tetrahydrodiazepine

7-ethyl-2-methyl-3,4,5,6-tetrahydrodiazepine (PubChem CID 129299212) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 7-ethyl-2-methyl-3,4,5,6-tetrahydrodiazepine.

Molecular Properties

Compound Name7-ethyl-2-methyl-3,4,5,6-tetrahydrodiazepine
PubChem CID129299212
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name7-ethyl-2-methyl-3,4,5,6-tetrahydrodiazepine
SMILESCCC1=NN(C)CCCC1
InChIInChI=1S/C8H16N2/c1-3-8-6-4-5-7-10(2)9-8/h3-7H2,1-2H3
InChIKeyOILFSSYEBHHKKC-UHFFFAOYSA-N
XLogP1.87
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-methyl-3,4,5,6-tetrahydrodiazepine?
The IUPAC name of 7-ethyl-2-methyl-3,4,5,6-tetrahydrodiazepine (CID 129299212) is 7-ethyl-2-methyl-3,4,5,6-tetrahydrodiazepine.
What is the SMILES notation for 7-ethyl-2-methyl-3,4,5,6-tetrahydrodiazepine?
The canonical SMILES for 7-ethyl-2-methyl-3,4,5,6-tetrahydrodiazepine is CCC1=NN(C)CCCC1.
What is the InChIKey of 7-ethyl-2-methyl-3,4,5,6-tetrahydrodiazepine?
The InChIKey is OILFSSYEBHHKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-3-8-6-4-5-7-10(2)9-8/h3-7H2,1-2H3.
What are the key properties of 7-ethyl-2-methyl-3,4,5,6-tetrahydrodiazepine?
7-ethyl-2-methyl-3,4,5,6-tetrahydrodiazepine has a molecular weight of 140.23 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-methyl-3,4,5,6-tetrahydrodiazepine is sourced from PubChem (CID 129299212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).