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

C10H16N2 — CID 134547944

IUPAC1-N,1-N,4-N-trimethylcyclohepta-2,4,7-triene-1,4-diamine
SMILESCNC1=CCC=C(N(C)C)C=C1
InChIInChI=1S/C10H16N2/c1-11-9-5-4-6-10(8-7-9)12(2)3/h5-8,11H,4H2,1-3H3
InChIKeyZUTWVEMMIXWOJM-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.50
Rot. Bonds2

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

1-N,1-N,4-N-trimethylcyclohepta-2,4,7-triene-1,4-diamine (PubChem CID 134547944) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 1-N,1-N,4-N-trimethylcyclohepta-2,4,7-triene-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N,4-N-trimethylcyclohepta-2,4,7-triene-1,4-diamine
PubChem CID134547944
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name1-N,1-N,4-N-trimethylcyclohepta-2,4,7-triene-1,4-diamine
SMILESCNC1=CCC=C(N(C)C)C=C1
InChIInChI=1S/C10H16N2/c1-11-9-5-4-6-10(8-7-9)12(2)3/h5-8,11H,4H2,1-3H3
InChIKeyZUTWVEMMIXWOJM-UHFFFAOYSA-N
XLogP1.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,4-N-trimethylcyclohepta-2,4,7-triene-1,4-diamine?
The IUPAC name of 1-N,1-N,4-N-trimethylcyclohepta-2,4,7-triene-1,4-diamine (CID 134547944) is 1-N,1-N,4-N-trimethylcyclohepta-2,4,7-triene-1,4-diamine.
What is the SMILES notation for 1-N,1-N,4-N-trimethylcyclohepta-2,4,7-triene-1,4-diamine?
The canonical SMILES for 1-N,1-N,4-N-trimethylcyclohepta-2,4,7-triene-1,4-diamine is CNC1=CCC=C(N(C)C)C=C1.
What is the InChIKey of 1-N,1-N,4-N-trimethylcyclohepta-2,4,7-triene-1,4-diamine?
The InChIKey is ZUTWVEMMIXWOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-11-9-5-4-6-10(8-7-9)12(2)3/h5-8,11H,4H2,1-3H3.
What are the key properties of 1-N,1-N,4-N-trimethylcyclohepta-2,4,7-triene-1,4-diamine?
1-N,1-N,4-N-trimethylcyclohepta-2,4,7-triene-1,4-diamine has a molecular weight of 164.25 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,4-N-trimethylcyclohepta-2,4,7-triene-1,4-diamine is sourced from PubChem (CID 134547944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).