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

C7H14N2 — CID 59531331

IUPAC2-ethyl-3,4,5,6-tetrahydrodiazepine
SMILESCCN1CCCCC=N1
InChIInChI=1S/C7H14N2/c1-2-9-7-5-3-4-6-8-9/h6H,2-5,7H2,1H3
InChIKeyQDSVPELDHHNAQY-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.48
Rot. Bonds1

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

2-ethyl-3,4,5,6-tetrahydrodiazepine (PubChem CID 59531331) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 2-ethyl-3,4,5,6-tetrahydrodiazepine.

Molecular Properties

Compound Name2-ethyl-3,4,5,6-tetrahydrodiazepine
PubChem CID59531331
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name2-ethyl-3,4,5,6-tetrahydrodiazepine
SMILESCCN1CCCCC=N1
InChIInChI=1S/C7H14N2/c1-2-9-7-5-3-4-6-8-9/h6H,2-5,7H2,1H3
InChIKeyQDSVPELDHHNAQY-UHFFFAOYSA-N
XLogP1.48
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,4,5,6-tetrahydrodiazepine?
The IUPAC name of 2-ethyl-3,4,5,6-tetrahydrodiazepine (CID 59531331) is 2-ethyl-3,4,5,6-tetrahydrodiazepine.
What is the SMILES notation for 2-ethyl-3,4,5,6-tetrahydrodiazepine?
The canonical SMILES for 2-ethyl-3,4,5,6-tetrahydrodiazepine is CCN1CCCCC=N1.
What is the InChIKey of 2-ethyl-3,4,5,6-tetrahydrodiazepine?
The InChIKey is QDSVPELDHHNAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-2-9-7-5-3-4-6-8-9/h6H,2-5,7H2,1H3.
What are the key properties of 2-ethyl-3,4,5,6-tetrahydrodiazepine?
2-ethyl-3,4,5,6-tetrahydrodiazepine has a molecular weight of 126.20 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,4,5,6-tetrahydrodiazepine is sourced from PubChem (CID 59531331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).