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

C10H18N2 — CID 89495193

IUPAC1-N,2-N,3,5-tetramethylcyclohexa-2,6-diene-1,2-diamine
SMILESCNC1=CC(C)CC(C)=C1NC
InChIInChI=1S/C10H18N2/c1-7-5-8(2)10(12-4)9(6-7)11-3/h6-7,11-12H,5H2,1-4H3
InChIKeyGZXVMCYHERVFFU-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.62
Rot. Bonds2

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

1-N,2-N,3,5-tetramethylcyclohexa-2,6-diene-1,2-diamine (PubChem CID 89495193) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1-N,2-N,3,5-tetramethylcyclohexa-2,6-diene-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N,3,5-tetramethylcyclohexa-2,6-diene-1,2-diamine
PubChem CID89495193
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1-N,2-N,3,5-tetramethylcyclohexa-2,6-diene-1,2-diamine
SMILESCNC1=CC(C)CC(C)=C1NC
InChIInChI=1S/C10H18N2/c1-7-5-8(2)10(12-4)9(6-7)11-3/h6-7,11-12H,5H2,1-4H3
InChIKeyGZXVMCYHERVFFU-UHFFFAOYSA-N
XLogP1.62
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,2-N,3,5-tetramethylcyclohexa-2,6-diene-1,2-diamine?
The IUPAC name of 1-N,2-N,3,5-tetramethylcyclohexa-2,6-diene-1,2-diamine (CID 89495193) is 1-N,2-N,3,5-tetramethylcyclohexa-2,6-diene-1,2-diamine.
What is the SMILES notation for 1-N,2-N,3,5-tetramethylcyclohexa-2,6-diene-1,2-diamine?
The canonical SMILES for 1-N,2-N,3,5-tetramethylcyclohexa-2,6-diene-1,2-diamine is CNC1=CC(C)CC(C)=C1NC.
What is the InChIKey of 1-N,2-N,3,5-tetramethylcyclohexa-2,6-diene-1,2-diamine?
The InChIKey is GZXVMCYHERVFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-7-5-8(2)10(12-4)9(6-7)11-3/h6-7,11-12H,5H2,1-4H3.
What are the key properties of 1-N,2-N,3,5-tetramethylcyclohexa-2,6-diene-1,2-diamine?
1-N,2-N,3,5-tetramethylcyclohexa-2,6-diene-1,2-diamine has a molecular weight of 166.27 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N,3,5-tetramethylcyclohexa-2,6-diene-1,2-diamine is sourced from PubChem (CID 89495193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).