5,5-dimethylcyclohepta-1,3,6-triene-1,2-diamine;ethane

C11H20N2 — CID 142861060

IUPAC5,5-dimethylcyclohepta-1,3,6-triene-1,2-diamine;ethane
SMILESCC.CC1(C)C=CC(N)=C(N)C=C1
InChIInChI=1S/C9H14N2.C2H6/c1-9(2)5-3-7(10)8(11)4-6-9;1-2/h3-6H,10-11H2,1-2H3;1-2H3
InChIKeyGUAQZMFBGRGYNA-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.29
Rot. Bonds

About 5,5-dimethylcyclohepta-1,3,6-triene-1,2-diamine;ethane

5,5-dimethylcyclohepta-1,3,6-triene-1,2-diamine;ethane (PubChem CID 142861060) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 5,5-dimethylcyclohepta-1,3,6-triene-1,2-diamine;ethane.

Molecular Properties

Compound Name5,5-dimethylcyclohepta-1,3,6-triene-1,2-diamine;ethane
PubChem CID142861060
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name5,5-dimethylcyclohepta-1,3,6-triene-1,2-diamine;ethane
SMILESCC.CC1(C)C=CC(N)=C(N)C=C1
InChIInChI=1S/C9H14N2.C2H6/c1-9(2)5-3-7(10)8(11)4-6-9;1-2/h3-6H,10-11H2,1-2H3;1-2H3
InChIKeyGUAQZMFBGRGYNA-UHFFFAOYSA-N
XLogP2.29
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethylcyclohepta-1,3,6-triene-1,2-diamine;ethane?
The IUPAC name of 5,5-dimethylcyclohepta-1,3,6-triene-1,2-diamine;ethane (CID 142861060) is 5,5-dimethylcyclohepta-1,3,6-triene-1,2-diamine;ethane.
What is the SMILES notation for 5,5-dimethylcyclohepta-1,3,6-triene-1,2-diamine;ethane?
The canonical SMILES for 5,5-dimethylcyclohepta-1,3,6-triene-1,2-diamine;ethane is CC.CC1(C)C=CC(N)=C(N)C=C1.
What is the InChIKey of 5,5-dimethylcyclohepta-1,3,6-triene-1,2-diamine;ethane?
The InChIKey is GUAQZMFBGRGYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2.C2H6/c1-9(2)5-3-7(10)8(11)4-6-9;1-2/h3-6H,10-11H2,1-2H3;1-2H3.
What are the key properties of 5,5-dimethylcyclohepta-1,3,6-triene-1,2-diamine;ethane?
5,5-dimethylcyclohepta-1,3,6-triene-1,2-diamine;ethane has a molecular weight of 180.29 g/mol, XLogP of 2.29, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethylcyclohepta-1,3,6-triene-1,2-diamine;ethane is sourced from PubChem (CID 142861060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).