5-ethyl-4-methylcyclohexa-1,5-dien-1-amine

C9H15N — CID 163507973

IUPAC5-ethyl-4-methylcyclohexa-1,5-dien-1-amine
SMILESCCC1=CC(N)=CCC1C
InChIInChI=1S/C9H15N/c1-3-8-6-9(10)5-4-7(8)2/h5-7H,3-4,10H2,1-2H3
InChIKeyDAEDESHQAIGRHC-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.21
Rot. Bonds1

About 5-ethyl-4-methylcyclohexa-1,5-dien-1-amine

5-ethyl-4-methylcyclohexa-1,5-dien-1-amine (PubChem CID 163507973) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 5-ethyl-4-methylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name5-ethyl-4-methylcyclohexa-1,5-dien-1-amine
PubChem CID163507973
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name5-ethyl-4-methylcyclohexa-1,5-dien-1-amine
SMILESCCC1=CC(N)=CCC1C
InChIInChI=1S/C9H15N/c1-3-8-6-9(10)5-4-7(8)2/h5-7H,3-4,10H2,1-2H3
InChIKeyDAEDESHQAIGRHC-UHFFFAOYSA-N
XLogP2.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 5-ethyl-4-methylcyclohexa-1,5-dien-1-amine (CID 163507973) is 5-ethyl-4-methylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 5-ethyl-4-methylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 5-ethyl-4-methylcyclohexa-1,5-dien-1-amine is CCC1=CC(N)=CCC1C.
What is the InChIKey of 5-ethyl-4-methylcyclohexa-1,5-dien-1-amine?
The InChIKey is DAEDESHQAIGRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-3-8-6-9(10)5-4-7(8)2/h5-7H,3-4,10H2,1-2H3.
What are the key properties of 5-ethyl-4-methylcyclohexa-1,5-dien-1-amine?
5-ethyl-4-methylcyclohexa-1,5-dien-1-amine has a molecular weight of 137.23 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 163507973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).