4-cyclohexa-1,4-dien-1-yloxy-N-methyl-N-prop-2-enylbut-2-en-1-amine

C14H21NO — CID 91099808

IUPAC4-cyclohexa-1,4-dien-1-yloxy-N-methyl-N-prop-2-enylbut-2-en-1-amine
SMILESC=CCN(C)CC=CCOC1=CCC=CC1
InChIInChI=1S/C14H21NO/c1-3-11-15(2)12-7-8-13-16-14-9-5-4-6-10-14/h3-5,7-8,10H,1,6,9,11-13H2,2H3
InChIKeyIIMVQRWKXJSXFX-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.91
Rot. Bonds7

About 4-cyclohexa-1,4-dien-1-yloxy-N-methyl-N-prop-2-enylbut-2-en-1-amine

4-cyclohexa-1,4-dien-1-yloxy-N-methyl-N-prop-2-enylbut-2-en-1-amine (PubChem CID 91099808) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-cyclohexa-1,4-dien-1-yloxy-N-methyl-N-prop-2-enylbut-2-en-1-amine.

Molecular Properties

Compound Name4-cyclohexa-1,4-dien-1-yloxy-N-methyl-N-prop-2-enylbut-2-en-1-amine
PubChem CID91099808
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name4-cyclohexa-1,4-dien-1-yloxy-N-methyl-N-prop-2-enylbut-2-en-1-amine
SMILESC=CCN(C)CC=CCOC1=CCC=CC1
InChIInChI=1S/C14H21NO/c1-3-11-15(2)12-7-8-13-16-14-9-5-4-6-10-14/h3-5,7-8,10H,1,6,9,11-13H2,2H3
InChIKeyIIMVQRWKXJSXFX-UHFFFAOYSA-N
XLogP2.91
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-cyclohexa-1,4-dien-1-yloxy-N-methyl-N-prop-2-enylbut-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-1,4-dien-1-yloxy-N-methyl-N-prop-2-enylbut-2-en-1-amine?
The IUPAC name of 4-cyclohexa-1,4-dien-1-yloxy-N-methyl-N-prop-2-enylbut-2-en-1-amine (CID 91099808) is 4-cyclohexa-1,4-dien-1-yloxy-N-methyl-N-prop-2-enylbut-2-en-1-amine.
What is the SMILES notation for 4-cyclohexa-1,4-dien-1-yloxy-N-methyl-N-prop-2-enylbut-2-en-1-amine?
The canonical SMILES for 4-cyclohexa-1,4-dien-1-yloxy-N-methyl-N-prop-2-enylbut-2-en-1-amine is C=CCN(C)CC=CCOC1=CCC=CC1.
What is the InChIKey of 4-cyclohexa-1,4-dien-1-yloxy-N-methyl-N-prop-2-enylbut-2-en-1-amine?
The InChIKey is IIMVQRWKXJSXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-11-15(2)12-7-8-13-16-14-9-5-4-6-10-14/h3-5,7-8,10H,1,6,9,11-13H2,2H3.
What are the key properties of 4-cyclohexa-1,4-dien-1-yloxy-N-methyl-N-prop-2-enylbut-2-en-1-amine?
4-cyclohexa-1,4-dien-1-yloxy-N-methyl-N-prop-2-enylbut-2-en-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.91, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-1,4-dien-1-yloxy-N-methyl-N-prop-2-enylbut-2-en-1-amine is sourced from PubChem (CID 91099808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).