5-methylcyclohex-5-ene-1,2,3,4-tetraimine

C7H8N4 — CID 89256593

IUPAC5-methylcyclohex-5-ene-1,2,3,4-tetraimine
SMILES[H]/N=c1cc(C)c(=N\[H])/c(=N\[H])c\1=N/[H]
InChIInChI=1S/C7H8N4/c1-3-2-4(8)6(10)7(11)5(3)9/h2,8-11H,1H3/b8-4+,9-5+,10-6+,11-7+
InChIKeyUWJMSWMPYZPVIG-GZGBMRHASA-N
MW148.17 g/mol
LogP-1.21
Rot. Bonds

About 5-methylcyclohex-5-ene-1,2,3,4-tetraimine

5-methylcyclohex-5-ene-1,2,3,4-tetraimine (PubChem CID 89256593) has the molecular formula C7H8N4 and a molecular weight of 148.17 g/mol. Its IUPAC name is 5-methylcyclohex-5-ene-1,2,3,4-tetraimine.

Molecular Properties

Compound Name5-methylcyclohex-5-ene-1,2,3,4-tetraimine
PubChem CID89256593
Molecular FormulaC7H8N4
Molecular Weight148.17 g/mol
Exact Mass148.07
IUPAC Name5-methylcyclohex-5-ene-1,2,3,4-tetraimine
SMILES[H]/N=c1cc(C)c(=N\[H])/c(=N\[H])c\1=N/[H]
InChIInChI=1S/C7H8N4/c1-3-2-4(8)6(10)7(11)5(3)9/h2,8-11H,1H3/b8-4+,9-5+,10-6+,11-7+
InChIKeyUWJMSWMPYZPVIG-GZGBMRHASA-N
XLogP-1.21
TPSA95.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.17
LogP ≤ 5-1.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methylcyclohex-5-ene-1,2,3,4-tetraimine?
The IUPAC name of 5-methylcyclohex-5-ene-1,2,3,4-tetraimine (CID 89256593) is 5-methylcyclohex-5-ene-1,2,3,4-tetraimine.
What is the SMILES notation for 5-methylcyclohex-5-ene-1,2,3,4-tetraimine?
The canonical SMILES for 5-methylcyclohex-5-ene-1,2,3,4-tetraimine is [H]/N=c1cc(C)c(=N\[H])/c(=N\[H])c\1=N/[H].
What is the InChIKey of 5-methylcyclohex-5-ene-1,2,3,4-tetraimine?
The InChIKey is UWJMSWMPYZPVIG-GZGBMRHASA-N. The full InChI is InChI=1S/C7H8N4/c1-3-2-4(8)6(10)7(11)5(3)9/h2,8-11H,1H3/b8-4+,9-5+,10-6+,11-7+.
What are the key properties of 5-methylcyclohex-5-ene-1,2,3,4-tetraimine?
5-methylcyclohex-5-ene-1,2,3,4-tetraimine has a molecular weight of 148.17 g/mol, XLogP of -1.21, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylcyclohex-5-ene-1,2,3,4-tetraimine is sourced from PubChem (CID 89256593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).