3,4,5,6-tetramethylcyclohepta-2,4,7-triene-1,2-diamine

C11H18N2 — CID 134239252

IUPAC3,4,5,6-tetramethylcyclohepta-2,4,7-triene-1,2-diamine
SMILESCC1=C(N)C(N)=CC(C)C(C)=C1C
InChIInChI=1S/C11H18N2/c1-6-5-10(12)11(13)9(4)8(3)7(6)2/h5-6H,12-13H2,1-4H3
InChIKeyNGMBVDGNNFTWIQ-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.05
Rot. Bonds

About 3,4,5,6-tetramethylcyclohepta-2,4,7-triene-1,2-diamine

3,4,5,6-tetramethylcyclohepta-2,4,7-triene-1,2-diamine (PubChem CID 134239252) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 3,4,5,6-tetramethylcyclohepta-2,4,7-triene-1,2-diamine.

Molecular Properties

Compound Name3,4,5,6-tetramethylcyclohepta-2,4,7-triene-1,2-diamine
PubChem CID134239252
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name3,4,5,6-tetramethylcyclohepta-2,4,7-triene-1,2-diamine
SMILESCC1=C(N)C(N)=CC(C)C(C)=C1C
InChIInChI=1S/C11H18N2/c1-6-5-10(12)11(13)9(4)8(3)7(6)2/h5-6H,12-13H2,1-4H3
InChIKeyNGMBVDGNNFTWIQ-UHFFFAOYSA-N
XLogP2.05
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4,5,6-tetramethylcyclohepta-2,4,7-triene-1,2-diamine?
The IUPAC name of 3,4,5,6-tetramethylcyclohepta-2,4,7-triene-1,2-diamine (CID 134239252) is 3,4,5,6-tetramethylcyclohepta-2,4,7-triene-1,2-diamine.
What is the SMILES notation for 3,4,5,6-tetramethylcyclohepta-2,4,7-triene-1,2-diamine?
The canonical SMILES for 3,4,5,6-tetramethylcyclohepta-2,4,7-triene-1,2-diamine is CC1=C(N)C(N)=CC(C)C(C)=C1C.
What is the InChIKey of 3,4,5,6-tetramethylcyclohepta-2,4,7-triene-1,2-diamine?
The InChIKey is NGMBVDGNNFTWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-6-5-10(12)11(13)9(4)8(3)7(6)2/h5-6H,12-13H2,1-4H3.
What are the key properties of 3,4,5,6-tetramethylcyclohepta-2,4,7-triene-1,2-diamine?
3,4,5,6-tetramethylcyclohepta-2,4,7-triene-1,2-diamine has a molecular weight of 178.28 g/mol, XLogP of 2.05, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6-tetramethylcyclohepta-2,4,7-triene-1,2-diamine is sourced from PubChem (CID 134239252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).