5,6-diimino-1-N,1-N,3-N,3-N-tetramethylcyclohexa-1,3-diene-1,3-diamine

C10H16N4 — CID 89326013

IUPAC5,6-diimino-1-N,1-N,3-N,3-N-tetramethylcyclohexa-1,3-diene-1,3-diamine
SMILES[H]/N=C1/C(N(C)C)=CC(N(C)C)=C/C1=N\[H]
InChIInChI=1S/C10H16N4/c1-13(2)7-5-8(11)10(12)9(6-7)14(3)4/h5-6,11-12H,1-4H3/b11-8+,12-10+
InChIKeyQDVQGLJYULWDIN-TXSAMIJNSA-N
MW192.27 g/mol
LogP0.93
Rot. Bonds2

About 5,6-diimino-1-N,1-N,3-N,3-N-tetramethylcyclohexa-1,3-diene-1,3-diamine

5,6-diimino-1-N,1-N,3-N,3-N-tetramethylcyclohexa-1,3-diene-1,3-diamine (PubChem CID 89326013) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 5,6-diimino-1-N,1-N,3-N,3-N-tetramethylcyclohexa-1,3-diene-1,3-diamine.

Molecular Properties

Compound Name5,6-diimino-1-N,1-N,3-N,3-N-tetramethylcyclohexa-1,3-diene-1,3-diamine
PubChem CID89326013
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name5,6-diimino-1-N,1-N,3-N,3-N-tetramethylcyclohexa-1,3-diene-1,3-diamine
SMILES[H]/N=C1/C(N(C)C)=CC(N(C)C)=C/C1=N\[H]
InChIInChI=1S/C10H16N4/c1-13(2)7-5-8(11)10(12)9(6-7)14(3)4/h5-6,11-12H,1-4H3/b11-8+,12-10+
InChIKeyQDVQGLJYULWDIN-TXSAMIJNSA-N
XLogP0.93
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'chinone_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6-diimino-1-N,1-N,3-N,3-N-tetramethylcyclohexa-1,3-diene-1,3-diamine?
The IUPAC name of 5,6-diimino-1-N,1-N,3-N,3-N-tetramethylcyclohexa-1,3-diene-1,3-diamine (CID 89326013) is 5,6-diimino-1-N,1-N,3-N,3-N-tetramethylcyclohexa-1,3-diene-1,3-diamine.
What is the SMILES notation for 5,6-diimino-1-N,1-N,3-N,3-N-tetramethylcyclohexa-1,3-diene-1,3-diamine?
The canonical SMILES for 5,6-diimino-1-N,1-N,3-N,3-N-tetramethylcyclohexa-1,3-diene-1,3-diamine is [H]/N=C1/C(N(C)C)=CC(N(C)C)=C/C1=N\[H].
What is the InChIKey of 5,6-diimino-1-N,1-N,3-N,3-N-tetramethylcyclohexa-1,3-diene-1,3-diamine?
The InChIKey is QDVQGLJYULWDIN-TXSAMIJNSA-N. The full InChI is InChI=1S/C10H16N4/c1-13(2)7-5-8(11)10(12)9(6-7)14(3)4/h5-6,11-12H,1-4H3/b11-8+,12-10+.
What are the key properties of 5,6-diimino-1-N,1-N,3-N,3-N-tetramethylcyclohexa-1,3-diene-1,3-diamine?
5,6-diimino-1-N,1-N,3-N,3-N-tetramethylcyclohexa-1,3-diene-1,3-diamine has a molecular weight of 192.27 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diimino-1-N,1-N,3-N,3-N-tetramethylcyclohexa-1,3-diene-1,3-diamine is sourced from PubChem (CID 89326013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).