3,7-diethyl-5-methyl-3H-diazepine

C10H16N2 — CID 557158

IUPAC3,7-diethyl-5-methyl-3H-diazepine
SMILESCCC1=CC(C)=CC(CC)N=N1
InChIInChI=1S/C10H16N2/c1-4-9-6-8(3)7-10(5-2)12-11-9/h6-7,9H,4-5H2,1-3H3
InChIKeyCQHKFITZOUYGJV-UHFFFAOYSA-N
MW164.25 g/mol
LogP3.47
Rot. Bonds2

About 3,7-diethyl-5-methyl-3H-diazepine

3,7-diethyl-5-methyl-3H-diazepine (PubChem CID 557158) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 3,7-diethyl-5-methyl-3H-diazepine.

Molecular Properties

Compound Name3,7-diethyl-5-methyl-3H-diazepine
PubChem CID557158
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name3,7-diethyl-5-methyl-3H-diazepine
SMILESCCC1=CC(C)=CC(CC)N=N1
InChIInChI=1S/C10H16N2/c1-4-9-6-8(3)7-10(5-2)12-11-9/h6-7,9H,4-5H2,1-3H3
InChIKeyCQHKFITZOUYGJV-UHFFFAOYSA-N
XLogP3.47
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,7-Dimethyl-3h-[1,2]diazepine
CID 15619251
3,5,7-Trimethyl-3H-1,2-diazepine
CID 15619252
3,5-dimethyl-7-propan-2-yl-3H-diazepine
CID 45096244
5,7-dimethyl-3-propan-2-yl-3H-diazepine
CID 45096252
4-Azido-2-methylcyclohepta-1,3,5-triene
CID 90222154
methyl-[(3Z)-5-methylhexa-3,5-dien-3-yl]diazene
CID 129033363
ethane;5-ethenyl-4-[(Z)-prop-1-enyl]-3H-pyrazole
CID 142078692
3,7-dimethyl-3H-diazepine
CID 142893871
4-Methyl-8-methylidenecyclohepta[c]pyridazine
CID 143124701
8H-cyclohepta[c]pyridazine;ethane
CID 143254013
ethane;(3E)-4-methylidene-3-(2-methylprop-2-enylidene)pyridazine
CID 143256262
ethane;ethenyl-[(3Z)-3-ethenyl-5-methylhexa-1,3,5-trien-2-yl]diazene
CID 143256606

Frequently Asked Questions

What is the IUPAC name of 3,7-diethyl-5-methyl-3H-diazepine?
The IUPAC name of 3,7-diethyl-5-methyl-3H-diazepine (CID 557158) is 3,7-diethyl-5-methyl-3H-diazepine.
What is the SMILES notation for 3,7-diethyl-5-methyl-3H-diazepine?
The canonical SMILES for 3,7-diethyl-5-methyl-3H-diazepine is CCC1=CC(C)=CC(CC)N=N1.
What is the InChIKey of 3,7-diethyl-5-methyl-3H-diazepine?
The InChIKey is CQHKFITZOUYGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-4-9-6-8(3)7-10(5-2)12-11-9/h6-7,9H,4-5H2,1-3H3.
What are the key properties of 3,7-diethyl-5-methyl-3H-diazepine?
3,7-diethyl-5-methyl-3H-diazepine has a molecular weight of 164.25 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-diethyl-5-methyl-3H-diazepine is sourced from PubChem (CID 557158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).