1,2,4,5-tetramethylcyclohexa-2,5-diene-1,4-diamine

C10H18N2 — CID 18471740

IUPAC1,2,4,5-tetramethylcyclohexa-2,5-diene-1,4-diamine
SMILESCC1=CC(C)(N)C(C)=CC1(C)N
InChIInChI=1S/C10H18N2/c1-7-5-10(4,12)8(2)6-9(7,3)11/h5-6H,11-12H2,1-4H3
InChIKeyPMLRPTGFUSIZOU-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.33
Rot. Bonds

About 1,2,4,5-tetramethylcyclohexa-2,5-diene-1,4-diamine

1,2,4,5-tetramethylcyclohexa-2,5-diene-1,4-diamine (PubChem CID 18471740) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1,2,4,5-tetramethylcyclohexa-2,5-diene-1,4-diamine.

Molecular Properties

Compound Name1,2,4,5-tetramethylcyclohexa-2,5-diene-1,4-diamine
PubChem CID18471740
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1,2,4,5-tetramethylcyclohexa-2,5-diene-1,4-diamine
SMILESCC1=CC(C)(N)C(C)=CC1(C)N
InChIInChI=1S/C10H18N2/c1-7-5-10(4,12)8(2)6-9(7,3)11/h5-6H,11-12H2,1-4H3
InChIKeyPMLRPTGFUSIZOU-UHFFFAOYSA-N
XLogP1.33
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetramethylcyclohexa-2,5-diene-1,4-diamine?
The IUPAC name of 1,2,4,5-tetramethylcyclohexa-2,5-diene-1,4-diamine (CID 18471740) is 1,2,4,5-tetramethylcyclohexa-2,5-diene-1,4-diamine.
What is the SMILES notation for 1,2,4,5-tetramethylcyclohexa-2,5-diene-1,4-diamine?
The canonical SMILES for 1,2,4,5-tetramethylcyclohexa-2,5-diene-1,4-diamine is CC1=CC(C)(N)C(C)=CC1(C)N.
What is the InChIKey of 1,2,4,5-tetramethylcyclohexa-2,5-diene-1,4-diamine?
The InChIKey is PMLRPTGFUSIZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-7-5-10(4,12)8(2)6-9(7,3)11/h5-6H,11-12H2,1-4H3.
What are the key properties of 1,2,4,5-tetramethylcyclohexa-2,5-diene-1,4-diamine?
1,2,4,5-tetramethylcyclohexa-2,5-diene-1,4-diamine has a molecular weight of 166.27 g/mol, XLogP of 1.33, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetramethylcyclohexa-2,5-diene-1,4-diamine is sourced from PubChem (CID 18471740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).