1-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)ethenamine

C11H15N — CID 170198624

IUPAC1-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)ethenamine
SMILESC=C(N)C1=CC=CC(C)(C)C=C1
InChIInChI=1S/C11H15N/c1-9(12)10-5-4-7-11(2,3)8-6-10/h4-8H,1,12H2,2-3H3
InChIKeyQUPUKOYVQMPDET-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.54
Rot. Bonds1

About 1-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)ethenamine

1-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)ethenamine (PubChem CID 170198624) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 1-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)ethenamine.

Molecular Properties

Compound Name1-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)ethenamine
PubChem CID170198624
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name1-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)ethenamine
SMILESC=C(N)C1=CC=CC(C)(C)C=C1
InChIInChI=1S/C11H15N/c1-9(12)10-5-4-7-11(2,3)8-6-10/h4-8H,1,12H2,2-3H3
InChIKeyQUPUKOYVQMPDET-UHFFFAOYSA-N
XLogP2.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)ethenamine?
The IUPAC name of 1-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)ethenamine (CID 170198624) is 1-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)ethenamine.
What is the SMILES notation for 1-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)ethenamine?
The canonical SMILES for 1-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)ethenamine is C=C(N)C1=CC=CC(C)(C)C=C1.
What is the InChIKey of 1-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)ethenamine?
The InChIKey is QUPUKOYVQMPDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-9(12)10-5-4-7-11(2,3)8-6-10/h4-8H,1,12H2,2-3H3.
What are the key properties of 1-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)ethenamine?
1-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)ethenamine has a molecular weight of 161.25 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)ethenamine is sourced from PubChem (CID 170198624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).