5,6-diethyl-5-methylcyclohexa-1,3-dien-1-amine

C11H19N — CID 66958213

IUPAC5,6-diethyl-5-methylcyclohexa-1,3-dien-1-amine
SMILESCCC1C(N)=CC=CC1(C)CC
InChIInChI=1S/C11H19N/c1-4-9-10(12)7-6-8-11(9,3)5-2/h6-9H,4-5,12H2,1-3H3
InChIKeyVZIYLOPUAOIIFE-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.84
Rot. Bonds2

About 5,6-diethyl-5-methylcyclohexa-1,3-dien-1-amine

5,6-diethyl-5-methylcyclohexa-1,3-dien-1-amine (PubChem CID 66958213) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 5,6-diethyl-5-methylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name5,6-diethyl-5-methylcyclohexa-1,3-dien-1-amine
PubChem CID66958213
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name5,6-diethyl-5-methylcyclohexa-1,3-dien-1-amine
SMILESCCC1C(N)=CC=CC1(C)CC
InChIInChI=1S/C11H19N/c1-4-9-10(12)7-6-8-11(9,3)5-2/h6-9H,4-5,12H2,1-3H3
InChIKeyVZIYLOPUAOIIFE-UHFFFAOYSA-N
XLogP2.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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

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Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-5-methylcyclohexa-1,3-dien-1-amine?
The IUPAC name of 5,6-diethyl-5-methylcyclohexa-1,3-dien-1-amine (CID 66958213) is 5,6-diethyl-5-methylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 5,6-diethyl-5-methylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for 5,6-diethyl-5-methylcyclohexa-1,3-dien-1-amine is CCC1C(N)=CC=CC1(C)CC.
What is the InChIKey of 5,6-diethyl-5-methylcyclohexa-1,3-dien-1-amine?
The InChIKey is VZIYLOPUAOIIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-4-9-10(12)7-6-8-11(9,3)5-2/h6-9H,4-5,12H2,1-3H3.
What are the key properties of 5,6-diethyl-5-methylcyclohexa-1,3-dien-1-amine?
5,6-diethyl-5-methylcyclohexa-1,3-dien-1-amine has a molecular weight of 165.28 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-5-methylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 66958213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).