4-N-ethyl-2-methylcyclohexa-2,5-diene-1,4-diimine

C9H12N2 — CID 123632189

IUPAC4-N-ethyl-2-methylcyclohexa-2,5-diene-1,4-diimine
SMILES[H]/N=C1\C=C/C(=N\CC)C=C1C
InChIInChI=1S/C9H12N2/c1-3-11-8-4-5-9(10)7(2)6-8/h4-6,10H,3H2,1-2H3/b10-9+,11-8+
InChIKeyUVCXRKADJMBHEJ-RUFFMTGISA-N
MW148.21 g/mol
LogP1.98
Rot. Bonds1

About 4-N-ethyl-2-methylcyclohexa-2,5-diene-1,4-diimine

4-N-ethyl-2-methylcyclohexa-2,5-diene-1,4-diimine (PubChem CID 123632189) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 4-N-ethyl-2-methylcyclohexa-2,5-diene-1,4-diimine.

Molecular Properties

Compound Name4-N-ethyl-2-methylcyclohexa-2,5-diene-1,4-diimine
PubChem CID123632189
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name4-N-ethyl-2-methylcyclohexa-2,5-diene-1,4-diimine
SMILES[H]/N=C1\C=C/C(=N\CC)C=C1C
InChIInChI=1S/C9H12N2/c1-3-11-8-4-5-9(10)7(2)6-8/h4-6,10H,3H2,1-2H3/b10-9+,11-8+
InChIKeyUVCXRKADJMBHEJ-RUFFMTGISA-N
XLogP1.98
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-Ethyl-2,3-dihydropyridine
CID 58693567
1-[(7E)-7-fluoro-6-methylidene-5H-azocin-2-yl]ethanimine
CID 90725446
2-Methylcyclohexa-2,5-diene-1,4-diimine
CID 21499767
N-methyl-6-methylidenecyclohexa-2,4-dien-1-imine
CID 21859815
3(2H)-Quinolinimine
CID 53424822
1-N,2-N,4-trimethylcyclohexa-3,5-diene-1,2-diimine
CID 53921814
5,6-Dimethyl-2,3-dihydropyridine
CID 57840662
2-N-methylcyclohexa-3,5-diene-1,2-diimine
CID 59789006
N-methyl-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine
CID 66781145
4-Ethylcyclohexa-3,5-diene-1,2-diimine
CID 68028388
(Z)-3-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]but-2-en-2-amine
CID 68086216
(3Z)-3-ethylidene-N-methylpyridin-4-imine
CID 68179744

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-2-methylcyclohexa-2,5-diene-1,4-diimine?
The IUPAC name of 4-N-ethyl-2-methylcyclohexa-2,5-diene-1,4-diimine (CID 123632189) is 4-N-ethyl-2-methylcyclohexa-2,5-diene-1,4-diimine.
What is the SMILES notation for 4-N-ethyl-2-methylcyclohexa-2,5-diene-1,4-diimine?
The canonical SMILES for 4-N-ethyl-2-methylcyclohexa-2,5-diene-1,4-diimine is [H]/N=C1\C=C/C(=N\CC)C=C1C.
What is the InChIKey of 4-N-ethyl-2-methylcyclohexa-2,5-diene-1,4-diimine?
The InChIKey is UVCXRKADJMBHEJ-RUFFMTGISA-N. The full InChI is InChI=1S/C9H12N2/c1-3-11-8-4-5-9(10)7(2)6-8/h4-6,10H,3H2,1-2H3/b10-9+,11-8+.
What are the key properties of 4-N-ethyl-2-methylcyclohexa-2,5-diene-1,4-diimine?
4-N-ethyl-2-methylcyclohexa-2,5-diene-1,4-diimine has a molecular weight of 148.21 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-2-methylcyclohexa-2,5-diene-1,4-diimine is sourced from PubChem (CID 123632189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).