1-N,6,6-trimethylcyclohepta-2,4,7-triene-1,4-diamine

C10H16N2 — CID 142928780

IUPAC1-N,6,6-trimethylcyclohepta-2,4,7-triene-1,4-diamine
SMILESCNC1=CC(C)(C)C=C(N)C=C1
InChIInChI=1S/C10H16N2/c1-10(2)6-8(11)4-5-9(7-10)12-3/h4-7,12H,11H2,1-3H3
InChIKeyKUXUEIRPQVLHQJ-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.53
Rot. Bonds1

About 1-N,6,6-trimethylcyclohepta-2,4,7-triene-1,4-diamine

1-N,6,6-trimethylcyclohepta-2,4,7-triene-1,4-diamine (PubChem CID 142928780) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 1-N,6,6-trimethylcyclohepta-2,4,7-triene-1,4-diamine.

Molecular Properties

Compound Name1-N,6,6-trimethylcyclohepta-2,4,7-triene-1,4-diamine
PubChem CID142928780
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name1-N,6,6-trimethylcyclohepta-2,4,7-triene-1,4-diamine
SMILESCNC1=CC(C)(C)C=C(N)C=C1
InChIInChI=1S/C10H16N2/c1-10(2)6-8(11)4-5-9(7-10)12-3/h4-7,12H,11H2,1-3H3
InChIKeyKUXUEIRPQVLHQJ-UHFFFAOYSA-N
XLogP1.53
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,6,6-trimethylcyclohepta-2,4,7-triene-1,4-diamine?
The IUPAC name of 1-N,6,6-trimethylcyclohepta-2,4,7-triene-1,4-diamine (CID 142928780) is 1-N,6,6-trimethylcyclohepta-2,4,7-triene-1,4-diamine.
What is the SMILES notation for 1-N,6,6-trimethylcyclohepta-2,4,7-triene-1,4-diamine?
The canonical SMILES for 1-N,6,6-trimethylcyclohepta-2,4,7-triene-1,4-diamine is CNC1=CC(C)(C)C=C(N)C=C1.
What is the InChIKey of 1-N,6,6-trimethylcyclohepta-2,4,7-triene-1,4-diamine?
The InChIKey is KUXUEIRPQVLHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-10(2)6-8(11)4-5-9(7-10)12-3/h4-7,12H,11H2,1-3H3.
What are the key properties of 1-N,6,6-trimethylcyclohepta-2,4,7-triene-1,4-diamine?
1-N,6,6-trimethylcyclohepta-2,4,7-triene-1,4-diamine has a molecular weight of 164.25 g/mol, XLogP of 1.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,6,6-trimethylcyclohepta-2,4,7-triene-1,4-diamine is sourced from PubChem (CID 142928780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).