1,3,4,6-tetramethylcyclohexa-3,5-diene-1,2-diamine

C10H18N2 — CID 53411773

IUPAC1,3,4,6-tetramethylcyclohexa-3,5-diene-1,2-diamine
SMILESCC1=CC(C)=C(C)C(N)C1(C)N
InChIInChI=1S/C10H18N2/c1-6-5-7(2)10(4,12)9(11)8(6)3/h5,9H,11-12H2,1-4H3
InChIKeyKIMAYOCXRMGROE-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.33
Rot. Bonds

About 1,3,4,6-tetramethylcyclohexa-3,5-diene-1,2-diamine

1,3,4,6-tetramethylcyclohexa-3,5-diene-1,2-diamine (PubChem CID 53411773) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1,3,4,6-tetramethylcyclohexa-3,5-diene-1,2-diamine.

Molecular Properties

Compound Name1,3,4,6-tetramethylcyclohexa-3,5-diene-1,2-diamine
PubChem CID53411773
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1,3,4,6-tetramethylcyclohexa-3,5-diene-1,2-diamine
SMILESCC1=CC(C)=C(C)C(N)C1(C)N
InChIInChI=1S/C10H18N2/c1-6-5-7(2)10(4,12)9(11)8(6)3/h5,9H,11-12H2,1-4H3
InChIKeyKIMAYOCXRMGROE-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

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Frequently Asked Questions

What is the IUPAC name of 1,3,4,6-tetramethylcyclohexa-3,5-diene-1,2-diamine?
The IUPAC name of 1,3,4,6-tetramethylcyclohexa-3,5-diene-1,2-diamine (CID 53411773) is 1,3,4,6-tetramethylcyclohexa-3,5-diene-1,2-diamine.
What is the SMILES notation for 1,3,4,6-tetramethylcyclohexa-3,5-diene-1,2-diamine?
The canonical SMILES for 1,3,4,6-tetramethylcyclohexa-3,5-diene-1,2-diamine is CC1=CC(C)=C(C)C(N)C1(C)N.
What is the InChIKey of 1,3,4,6-tetramethylcyclohexa-3,5-diene-1,2-diamine?
The InChIKey is KIMAYOCXRMGROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-6-5-7(2)10(4,12)9(11)8(6)3/h5,9H,11-12H2,1-4H3.
What are the key properties of 1,3,4,6-tetramethylcyclohexa-3,5-diene-1,2-diamine?
1,3,4,6-tetramethylcyclohexa-3,5-diene-1,2-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 1,3,4,6-tetramethylcyclohexa-3,5-diene-1,2-diamine is sourced from PubChem (CID 53411773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).