6-ethyl-3,3,6-trimethylcyclohexa-1,4-dien-1-amine

C11H19N — CID 155440652

IUPAC6-ethyl-3,3,6-trimethylcyclohexa-1,4-dien-1-amine
SMILESCCC1(C)C=CC(C)(C)C=C1N
InChIInChI=1S/C11H19N/c1-5-11(4)7-6-10(2,3)8-9(11)12/h6-8H,5,12H2,1-4H3
InChIKeyOVGRTOJCVFQJRA-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.84
Rot. Bonds1

About 6-ethyl-3,3,6-trimethylcyclohexa-1,4-dien-1-amine

6-ethyl-3,3,6-trimethylcyclohexa-1,4-dien-1-amine (PubChem CID 155440652) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 6-ethyl-3,3,6-trimethylcyclohexa-1,4-dien-1-amine.

Molecular Properties

Compound Name6-ethyl-3,3,6-trimethylcyclohexa-1,4-dien-1-amine
PubChem CID155440652
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name6-ethyl-3,3,6-trimethylcyclohexa-1,4-dien-1-amine
SMILESCCC1(C)C=CC(C)(C)C=C1N
InChIInChI=1S/C11H19N/c1-5-11(4)7-6-10(2,3)8-9(11)12/h6-8H,5,12H2,1-4H3
InChIKeyOVGRTOJCVFQJRA-UHFFFAOYSA-N
XLogP2.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3,3,6-trimethylcyclohexa-1,4-dien-1-amine?
The IUPAC name of 6-ethyl-3,3,6-trimethylcyclohexa-1,4-dien-1-amine (CID 155440652) is 6-ethyl-3,3,6-trimethylcyclohexa-1,4-dien-1-amine.
What is the SMILES notation for 6-ethyl-3,3,6-trimethylcyclohexa-1,4-dien-1-amine?
The canonical SMILES for 6-ethyl-3,3,6-trimethylcyclohexa-1,4-dien-1-amine is CCC1(C)C=CC(C)(C)C=C1N.
What is the InChIKey of 6-ethyl-3,3,6-trimethylcyclohexa-1,4-dien-1-amine?
The InChIKey is OVGRTOJCVFQJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-5-11(4)7-6-10(2,3)8-9(11)12/h6-8H,5,12H2,1-4H3.
What are the key properties of 6-ethyl-3,3,6-trimethylcyclohexa-1,4-dien-1-amine?
6-ethyl-3,3,6-trimethylcyclohexa-1,4-dien-1-amine has a molecular weight of 165.28 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3,3,6-trimethylcyclohexa-1,4-dien-1-amine is sourced from PubChem (CID 155440652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).