2-(2-methoxyethoxy)-4-methylcyclohexa-1,3-dien-1-amine

C10H17NO2 — CID 144761130

IUPAC2-(2-methoxyethoxy)-4-methylcyclohexa-1,3-dien-1-amine
SMILESCOCCOC1=C(N)CCC(C)=C1
InChIInChI=1S/C10H17NO2/c1-8-3-4-9(11)10(7-8)13-6-5-12-2/h7H,3-6,11H2,1-2H3
InChIKeyJEUGXGWBBLPDEX-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.56
Rot. Bonds4

About 2-(2-methoxyethoxy)-4-methylcyclohexa-1,3-dien-1-amine

2-(2-methoxyethoxy)-4-methylcyclohexa-1,3-dien-1-amine (PubChem CID 144761130) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-4-methylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-4-methylcyclohexa-1,3-dien-1-amine
PubChem CID144761130
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-(2-methoxyethoxy)-4-methylcyclohexa-1,3-dien-1-amine
SMILESCOCCOC1=C(N)CCC(C)=C1
InChIInChI=1S/C10H17NO2/c1-8-3-4-9(11)10(7-8)13-6-5-12-2/h7H,3-6,11H2,1-2H3
InChIKeyJEUGXGWBBLPDEX-UHFFFAOYSA-N
XLogP1.56
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-4-methylcyclohexa-1,3-dien-1-amine?
The IUPAC name of 2-(2-methoxyethoxy)-4-methylcyclohexa-1,3-dien-1-amine (CID 144761130) is 2-(2-methoxyethoxy)-4-methylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 2-(2-methoxyethoxy)-4-methylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for 2-(2-methoxyethoxy)-4-methylcyclohexa-1,3-dien-1-amine is COCCOC1=C(N)CCC(C)=C1.
What is the InChIKey of 2-(2-methoxyethoxy)-4-methylcyclohexa-1,3-dien-1-amine?
The InChIKey is JEUGXGWBBLPDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-8-3-4-9(11)10(7-8)13-6-5-12-2/h7H,3-6,11H2,1-2H3.
What are the key properties of 2-(2-methoxyethoxy)-4-methylcyclohexa-1,3-dien-1-amine?
2-(2-methoxyethoxy)-4-methylcyclohexa-1,3-dien-1-amine has a molecular weight of 183.25 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-4-methylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 144761130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).