2-N,2-N,5,5-tetramethylcyclohepta-1,3,6-triene-1,2-diamine

C11H18N2 — CID 143681795

IUPAC2-N,2-N,5,5-tetramethylcyclohepta-1,3,6-triene-1,2-diamine
SMILESCN(C)C1=C(N)C=CC(C)(C)C=C1
InChIInChI=1S/C11H18N2/c1-11(2)7-5-9(12)10(6-8-11)13(3)4/h5-8H,12H2,1-4H3
InChIKeyQKYDYQNALWAECM-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.87
Rot. Bonds1

About 2-N,2-N,5,5-tetramethylcyclohepta-1,3,6-triene-1,2-diamine

2-N,2-N,5,5-tetramethylcyclohepta-1,3,6-triene-1,2-diamine (PubChem CID 143681795) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 2-N,2-N,5,5-tetramethylcyclohepta-1,3,6-triene-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N,5,5-tetramethylcyclohepta-1,3,6-triene-1,2-diamine
PubChem CID143681795
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name2-N,2-N,5,5-tetramethylcyclohepta-1,3,6-triene-1,2-diamine
SMILESCN(C)C1=C(N)C=CC(C)(C)C=C1
InChIInChI=1S/C11H18N2/c1-11(2)7-5-9(12)10(6-8-11)13(3)4/h5-8H,12H2,1-4H3
InChIKeyQKYDYQNALWAECM-UHFFFAOYSA-N
XLogP1.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 141824390
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CID 142864508
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CID 143681794
CID 143681794

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,5,5-tetramethylcyclohepta-1,3,6-triene-1,2-diamine?
The IUPAC name of 2-N,2-N,5,5-tetramethylcyclohepta-1,3,6-triene-1,2-diamine (CID 143681795) is 2-N,2-N,5,5-tetramethylcyclohepta-1,3,6-triene-1,2-diamine.
What is the SMILES notation for 2-N,2-N,5,5-tetramethylcyclohepta-1,3,6-triene-1,2-diamine?
The canonical SMILES for 2-N,2-N,5,5-tetramethylcyclohepta-1,3,6-triene-1,2-diamine is CN(C)C1=C(N)C=CC(C)(C)C=C1.
What is the InChIKey of 2-N,2-N,5,5-tetramethylcyclohepta-1,3,6-triene-1,2-diamine?
The InChIKey is QKYDYQNALWAECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-11(2)7-5-9(12)10(6-8-11)13(3)4/h5-8H,12H2,1-4H3.
What are the key properties of 2-N,2-N,5,5-tetramethylcyclohepta-1,3,6-triene-1,2-diamine?
2-N,2-N,5,5-tetramethylcyclohepta-1,3,6-triene-1,2-diamine has a molecular weight of 178.28 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,5,5-tetramethylcyclohepta-1,3,6-triene-1,2-diamine is sourced from PubChem (CID 143681795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).