2-cyclohexa-1,5-dien-1-yl-N-ethyl-2-methoxyethanamine

C11H19NO — CID 143800433

IUPAC2-cyclohexa-1,5-dien-1-yl-N-ethyl-2-methoxyethanamine
SMILESCCNCC(OC)C1=CCCC=C1
InChIInChI=1S/C11H19NO/c1-3-12-9-11(13-2)10-7-5-4-6-8-10/h5,7-8,11-12H,3-4,6,9H2,1-2H3
InChIKeyMCQYHPYGYTZHGY-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.89
Rot. Bonds5

About 2-cyclohexa-1,5-dien-1-yl-N-ethyl-2-methoxyethanamine

2-cyclohexa-1,5-dien-1-yl-N-ethyl-2-methoxyethanamine (PubChem CID 143800433) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-yl-N-ethyl-2-methoxyethanamine.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-yl-N-ethyl-2-methoxyethanamine
PubChem CID143800433
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2-cyclohexa-1,5-dien-1-yl-N-ethyl-2-methoxyethanamine
SMILESCCNCC(OC)C1=CCCC=C1
InChIInChI=1S/C11H19NO/c1-3-12-9-11(13-2)10-7-5-4-6-8-10/h5,7-8,11-12H,3-4,6,9H2,1-2H3
InChIKeyMCQYHPYGYTZHGY-UHFFFAOYSA-N
XLogP1.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(E)-2-fluoro-3-methylpent-1-enyl]-5-methyl-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine
CID 129015871
(E,2S)-4-fluoro-2-methoxy-N-methyl-3-methylidenehex-4-en-1-amine
CID 134224603
(E,2R)-4-fluoro-2-methoxy-N-methyl-3-methylidenehex-4-en-1-amine
CID 134224605
N-[[(6S)-4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]cyclobutanamine
CID 134224689
N-[[4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]cyclobutanamine
CID 142279459
(4E)-2-ethoxy-4-fluoro-N-methyl-3-propan-2-ylidenehepta-4,6-dien-1-amine
CID 142279471
1-[5-ethenyl-4-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine
CID 142279546
N-[[5-ethenyl-4-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]propan-1-amine
CID 145138560
2-(4-Fluorocyclohexa-1,5-dien-1-yl)morpholine
CID 147833140
2,2-difluoro-6-[(3Z)-penta-1,3-dien-2-yl]morpholine
CID 177151938
6-Cyclohexa-1,5-dien-1-yl-2,2-difluoromorpholine
CID 178115857
1-[(3S,6S)-4,5-bis(ethenyl)-3-fluoro-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine
CID 142279477

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-yl-N-ethyl-2-methoxyethanamine?
The IUPAC name of 2-cyclohexa-1,5-dien-1-yl-N-ethyl-2-methoxyethanamine (CID 143800433) is 2-cyclohexa-1,5-dien-1-yl-N-ethyl-2-methoxyethanamine.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-yl-N-ethyl-2-methoxyethanamine?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-yl-N-ethyl-2-methoxyethanamine is CCNCC(OC)C1=CCCC=C1.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-yl-N-ethyl-2-methoxyethanamine?
The InChIKey is MCQYHPYGYTZHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-12-9-11(13-2)10-7-5-4-6-8-10/h5,7-8,11-12H,3-4,6,9H2,1-2H3.
What are the key properties of 2-cyclohexa-1,5-dien-1-yl-N-ethyl-2-methoxyethanamine?
2-cyclohexa-1,5-dien-1-yl-N-ethyl-2-methoxyethanamine has a molecular weight of 181.28 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,5-dien-1-yl-N-ethyl-2-methoxyethanamine is sourced from PubChem (CID 143800433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).