5-[2-methoxyethyl(methyl)amino]-2-methylidenehexa-3,5-dienal

C11H17NO2 — CID 123598373

IUPAC5-[2-methoxyethyl(methyl)amino]-2-methylidenehexa-3,5-dienal
SMILESC=C(C=O)C=CC(=C)N(C)CCOC
InChIInChI=1S/C11H17NO2/c1-10(9-13)5-6-11(2)12(3)7-8-14-4/h5-6,9H,1-2,7-8H2,3-4H3
InChIKeyUUFZRCAGTCCAKM-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.39
Rot. Bonds7

About 5-[2-methoxyethyl(methyl)amino]-2-methylidenehexa-3,5-dienal

5-[2-methoxyethyl(methyl)amino]-2-methylidenehexa-3,5-dienal (PubChem CID 123598373) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 5-[2-methoxyethyl(methyl)amino]-2-methylidenehexa-3,5-dienal.

Molecular Properties

Compound Name5-[2-methoxyethyl(methyl)amino]-2-methylidenehexa-3,5-dienal
PubChem CID123598373
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name5-[2-methoxyethyl(methyl)amino]-2-methylidenehexa-3,5-dienal
SMILESC=C(C=O)C=CC(=C)N(C)CCOC
InChIInChI=1S/C11H17NO2/c1-10(9-13)5-6-11(2)12(3)7-8-14-4/h5-6,9H,1-2,7-8H2,3-4H3
InChIKeyUUFZRCAGTCCAKM-UHFFFAOYSA-N
XLogP1.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-methylidene-5-[methyl-[2-(methylamino)ethyl]amino]hexa-3,5-dienal
CID 123169472
(3Z)-N-(2-methoxyethyl)-N-methyl-5-methylidenenona-1,3-dien-2-amine
CID 142907359
(3Z)-N-(2-methoxyethyl)-N,6-dimethyl-5-methylidenehepta-1,3-dien-2-amine;1-methylsulfonyl-4-propan-2-ylbenzene
CID 172606966
3-hydroxy-4-[2-methoxyethyl(methyl)amino]-N,N-dimethylpenta-2,4-dienamide
CID 160702435
2-ethoxy-N-(2-methoxyethyl)-N-methylacetamide
CID 61073231
(E)-2-N-ethyl-2-N-(2-methoxyethyl)-1-N,1-N-dimethylprop-1-ene-1,2-diamine;2-methylprop-2-enal
CID 176675584
N-(2-methoxyethyl)-N-methyl-2-(2-oxopropoxy)acetamide
CID 153486045
N-(2-methoxyethyl)-N,2-dimethyl-2-(methylamino)propanamide
CID 62848180
3-[2-methoxyethyl(methyl)amino]-3-oxopropanoic acid
CID 62230101
2-hydroxy-N-(2-methoxyethyl)-N,N',N'-trimethylbut-2-enediamide
CID 148721706
3-chloro-N-(2-methoxyethyl)-N-methylpropanamide
CID 61040705
N-(2-methoxyethyl)-N-methylbut-2-ynamide
CID 131224472

Frequently Asked Questions

What is the IUPAC name of 5-[2-methoxyethyl(methyl)amino]-2-methylidenehexa-3,5-dienal?
The IUPAC name of 5-[2-methoxyethyl(methyl)amino]-2-methylidenehexa-3,5-dienal (CID 123598373) is 5-[2-methoxyethyl(methyl)amino]-2-methylidenehexa-3,5-dienal.
What is the SMILES notation for 5-[2-methoxyethyl(methyl)amino]-2-methylidenehexa-3,5-dienal?
The canonical SMILES for 5-[2-methoxyethyl(methyl)amino]-2-methylidenehexa-3,5-dienal is C=C(C=O)C=CC(=C)N(C)CCOC.
What is the InChIKey of 5-[2-methoxyethyl(methyl)amino]-2-methylidenehexa-3,5-dienal?
The InChIKey is UUFZRCAGTCCAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-10(9-13)5-6-11(2)12(3)7-8-14-4/h5-6,9H,1-2,7-8H2,3-4H3.
What are the key properties of 5-[2-methoxyethyl(methyl)amino]-2-methylidenehexa-3,5-dienal?
5-[2-methoxyethyl(methyl)amino]-2-methylidenehexa-3,5-dienal has a molecular weight of 195.26 g/mol, XLogP of 1.39, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methoxyethyl(methyl)amino]-2-methylidenehexa-3,5-dienal is sourced from PubChem (CID 123598373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).