N,N,5,5-tetramethylcyclohepta-1,3,6-trien-1-amine

C11H17N — CID 135244399

IUPACN,N,5,5-tetramethylcyclohepta-1,3,6-trien-1-amine
SMILESCN(C)C1=CC=CC(C)(C)C=C1
InChIInChI=1S/C11H17N/c1-11(2)8-5-6-10(7-9-11)12(3)4/h5-9H,1-4H3
InChIKeyKCTRAFJRXVCNCF-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.58
Rot. Bonds1

About N,N,5,5-tetramethylcyclohepta-1,3,6-trien-1-amine

N,N,5,5-tetramethylcyclohepta-1,3,6-trien-1-amine (PubChem CID 135244399) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is N,N,5,5-tetramethylcyclohepta-1,3,6-trien-1-amine.

Molecular Properties

Compound NameN,N,5,5-tetramethylcyclohepta-1,3,6-trien-1-amine
PubChem CID135244399
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC NameN,N,5,5-tetramethylcyclohepta-1,3,6-trien-1-amine
SMILESCN(C)C1=CC=CC(C)(C)C=C1
InChIInChI=1S/C11H17N/c1-11(2)8-5-6-10(7-9-11)12(3)4/h5-9H,1-4H3
InChIKeyKCTRAFJRXVCNCF-UHFFFAOYSA-N
XLogP2.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N,5,5-tetramethylcyclohepta-1,3,6-trien-1-amine?
The IUPAC name of N,N,5,5-tetramethylcyclohepta-1,3,6-trien-1-amine (CID 135244399) is N,N,5,5-tetramethylcyclohepta-1,3,6-trien-1-amine.
What is the SMILES notation for N,N,5,5-tetramethylcyclohepta-1,3,6-trien-1-amine?
The canonical SMILES for N,N,5,5-tetramethylcyclohepta-1,3,6-trien-1-amine is CN(C)C1=CC=CC(C)(C)C=C1.
What is the InChIKey of N,N,5,5-tetramethylcyclohepta-1,3,6-trien-1-amine?
The InChIKey is KCTRAFJRXVCNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-11(2)8-5-6-10(7-9-11)12(3)4/h5-9H,1-4H3.
What are the key properties of N,N,5,5-tetramethylcyclohepta-1,3,6-trien-1-amine?
N,N,5,5-tetramethylcyclohepta-1,3,6-trien-1-amine has a molecular weight of 163.26 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,5,5-tetramethylcyclohepta-1,3,6-trien-1-amine is sourced from PubChem (CID 135244399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).