2-N,4-dimethylcyclohepta-2,4,7-triene-1,2-diamine

C9H14N2 — CID 143552596

IUPAC2-N,4-dimethylcyclohepta-2,4,7-triene-1,2-diamine
SMILESCNC1=CC(C)=CCC=C1N
InChIInChI=1S/C9H14N2/c1-7-4-3-5-8(10)9(6-7)11-2/h4-6,11H,3,10H2,1-2H3
InChIKeyAXHQDJGOPVKAPO-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.28
Rot. Bonds1

About 2-N,4-dimethylcyclohepta-2,4,7-triene-1,2-diamine

2-N,4-dimethylcyclohepta-2,4,7-triene-1,2-diamine (PubChem CID 143552596) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-N,4-dimethylcyclohepta-2,4,7-triene-1,2-diamine.

Molecular Properties

Compound Name2-N,4-dimethylcyclohepta-2,4,7-triene-1,2-diamine
PubChem CID143552596
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name2-N,4-dimethylcyclohepta-2,4,7-triene-1,2-diamine
SMILESCNC1=CC(C)=CCC=C1N
InChIInChI=1S/C9H14N2/c1-7-4-3-5-8(10)9(6-7)11-2/h4-6,11H,3,10H2,1-2H3
InChIKeyAXHQDJGOPVKAPO-UHFFFAOYSA-N
XLogP1.28
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-dimethylcyclohepta-2,4,7-triene-1,2-diamine?
The IUPAC name of 2-N,4-dimethylcyclohepta-2,4,7-triene-1,2-diamine (CID 143552596) is 2-N,4-dimethylcyclohepta-2,4,7-triene-1,2-diamine.
What is the SMILES notation for 2-N,4-dimethylcyclohepta-2,4,7-triene-1,2-diamine?
The canonical SMILES for 2-N,4-dimethylcyclohepta-2,4,7-triene-1,2-diamine is CNC1=CC(C)=CCC=C1N.
What is the InChIKey of 2-N,4-dimethylcyclohepta-2,4,7-triene-1,2-diamine?
The InChIKey is AXHQDJGOPVKAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-7-4-3-5-8(10)9(6-7)11-2/h4-6,11H,3,10H2,1-2H3.
What are the key properties of 2-N,4-dimethylcyclohepta-2,4,7-triene-1,2-diamine?
2-N,4-dimethylcyclohepta-2,4,7-triene-1,2-diamine has a molecular weight of 150.22 g/mol, XLogP of 1.28, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-dimethylcyclohepta-2,4,7-triene-1,2-diamine is sourced from PubChem (CID 143552596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).