1,4,4-trimethyl-7-methylidenediazepine

C9H14N2 — CID 91299695

IUPAC1,4,4-trimethyl-7-methylidenediazepine
SMILESC=C1C=CC(C)(C)C=NN1C
InChIInChI=1S/C9H14N2/c1-8-5-6-9(2,3)7-10-11(8)4/h5-7H,1H2,2-4H3
InChIKeyXXWFWRXYIVWUMB-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.01
Rot. Bonds

About 1,4,4-trimethyl-7-methylidenediazepine

1,4,4-trimethyl-7-methylidenediazepine (PubChem CID 91299695) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 1,4,4-trimethyl-7-methylidenediazepine.

Molecular Properties

Compound Name1,4,4-trimethyl-7-methylidenediazepine
PubChem CID91299695
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name1,4,4-trimethyl-7-methylidenediazepine
SMILESC=C1C=CC(C)(C)C=NN1C
InChIInChI=1S/C9H14N2/c1-8-5-6-9(2,3)7-10-11(8)4/h5-7H,1H2,2-4H3
InChIKeyXXWFWRXYIVWUMB-UHFFFAOYSA-N
XLogP2.01
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,6,6-Trimethyl-7-methylidenediazepine
CID 57786223
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1-Tert-butyl-7-ethenylidene-4,4-dimethyldiazepine
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3-Methyl-3,4-dihydropyrido[1,2-b]diazepine
CID 117711234
3-methyl-3H-pyrido[1,2-b]pyridazine
CID 123373938
(4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-1-methylpyrazole
CID 132064861
(4E,5E)-1-methyl-4,5-bis(prop-2-enylidene)pyrazole
CID 134342605
(Z)-N-[(7E)-7-butylidene-4,4-dimethylazepin-1-yl]ethanimine
CID 135177558
(5E)-1-methyl-4-methylidene-5-prop-2-enylidenepyrazole
CID 142338035
1,5,5,7-Tetramethylcyclohepta[c]pyrazole
CID 142411220
1-ethyl-5-methyl-7H-cyclohepta[c]pyrazole
CID 142857713

Frequently Asked Questions

What is the IUPAC name of 1,4,4-trimethyl-7-methylidenediazepine?
The IUPAC name of 1,4,4-trimethyl-7-methylidenediazepine (CID 91299695) is 1,4,4-trimethyl-7-methylidenediazepine.
What is the SMILES notation for 1,4,4-trimethyl-7-methylidenediazepine?
The canonical SMILES for 1,4,4-trimethyl-7-methylidenediazepine is C=C1C=CC(C)(C)C=NN1C.
What is the InChIKey of 1,4,4-trimethyl-7-methylidenediazepine?
The InChIKey is XXWFWRXYIVWUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-8-5-6-9(2,3)7-10-11(8)4/h5-7H,1H2,2-4H3.
What are the key properties of 1,4,4-trimethyl-7-methylidenediazepine?
1,4,4-trimethyl-7-methylidenediazepine has a molecular weight of 150.22 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,4-trimethyl-7-methylidenediazepine is sourced from PubChem (CID 91299695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).