1,3-dimethylcyclohexa-3,5-diene-1,2-dicarboximidamide

C10H16N4 — CID 175959752

IUPAC1,3-dimethylcyclohexa-3,5-diene-1,2-dicarboximidamide
SMILES[H]/N=C(\N)C1C(C)=CC=CC1(C)/C(N)=N/[H]
InChIInChI=1S/C10H16N4/c1-6-4-3-5-10(2,9(13)14)7(6)8(11)12/h3-5,7H,1-2H3,(H3,11,12)(H3,13,14)
InChIKeyVVRQAFGTLATIPZ-UHFFFAOYSA-N
MW192.27 g/mol
LogP1.00
Rot. Bonds2

About 1,3-dimethylcyclohexa-3,5-diene-1,2-dicarboximidamide

1,3-dimethylcyclohexa-3,5-diene-1,2-dicarboximidamide (PubChem CID 175959752) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 1,3-dimethylcyclohexa-3,5-diene-1,2-dicarboximidamide.

Molecular Properties

Compound Name1,3-dimethylcyclohexa-3,5-diene-1,2-dicarboximidamide
PubChem CID175959752
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name1,3-dimethylcyclohexa-3,5-diene-1,2-dicarboximidamide
SMILES[H]/N=C(\N)C1C(C)=CC=CC1(C)/C(N)=N/[H]
InChIInChI=1S/C10H16N4/c1-6-4-3-5-10(2,9(13)14)7(6)8(11)12/h3-5,7H,1-2H3,(H3,11,12)(H3,13,14)
InChIKeyVVRQAFGTLATIPZ-UHFFFAOYSA-N
XLogP1.00
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 51.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylcyclohexa-3,5-diene-1,2-dicarboximidamide?
The IUPAC name of 1,3-dimethylcyclohexa-3,5-diene-1,2-dicarboximidamide (CID 175959752) is 1,3-dimethylcyclohexa-3,5-diene-1,2-dicarboximidamide.
What is the SMILES notation for 1,3-dimethylcyclohexa-3,5-diene-1,2-dicarboximidamide?
The canonical SMILES for 1,3-dimethylcyclohexa-3,5-diene-1,2-dicarboximidamide is [H]/N=C(\N)C1C(C)=CC=CC1(C)/C(N)=N/[H].
What is the InChIKey of 1,3-dimethylcyclohexa-3,5-diene-1,2-dicarboximidamide?
The InChIKey is VVRQAFGTLATIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-6-4-3-5-10(2,9(13)14)7(6)8(11)12/h3-5,7H,1-2H3,(H3,11,12)(H3,13,14).
What are the key properties of 1,3-dimethylcyclohexa-3,5-diene-1,2-dicarboximidamide?
1,3-dimethylcyclohexa-3,5-diene-1,2-dicarboximidamide has a molecular weight of 192.27 g/mol, XLogP of 1.00, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylcyclohexa-3,5-diene-1,2-dicarboximidamide is sourced from PubChem (CID 175959752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).