(E)-1-[2-methoxyethyl(methyl)amino]-5-methylhept-2-en-4-one

C12H23NO2 — CID 129142750

IUPAC(E)-1-[2-methoxyethyl(methyl)amino]-5-methylhept-2-en-4-one
SMILESCCC(C)C(=O)/C=C/CN(C)CCOC
InChIInChI=1S/C12H23NO2/c1-5-11(2)12(14)7-6-8-13(3)9-10-15-4/h6-7,11H,5,8-10H2,1-4H3/b7-6+
InChIKeyWJGNFAQYHUQXEF-VOTSOKGWSA-N
MW213.32 g/mol
LogP1.74
Rot. Bonds8

About (E)-1-[2-methoxyethyl(methyl)amino]-5-methylhept-2-en-4-one

(E)-1-[2-methoxyethyl(methyl)amino]-5-methylhept-2-en-4-one (PubChem CID 129142750) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is (E)-1-[2-methoxyethyl(methyl)amino]-5-methylhept-2-en-4-one.

Molecular Properties

Compound Name(E)-1-[2-methoxyethyl(methyl)amino]-5-methylhept-2-en-4-one
PubChem CID129142750
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name(E)-1-[2-methoxyethyl(methyl)amino]-5-methylhept-2-en-4-one
SMILESCCC(C)C(=O)/C=C/CN(C)CCOC
InChIInChI=1S/C12H23NO2/c1-5-11(2)12(14)7-6-8-13(3)9-10-15-4/h6-7,11H,5,8-10H2,1-4H3/b7-6+
InChIKeyWJGNFAQYHUQXEF-VOTSOKGWSA-N
XLogP1.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-methyl-6-morpholin-4-ylhex-4-en-3-one
CID 14765509
(E)-1-(dimethylamino)-5-ethylhept-2-en-4-one
CID 57780866
1-(Dimethylamino)-5-ethylhept-2-en-4-one
CID 76603834
(E)-5-[2-methoxyethyl(methyl)amino]pent-3-en-2-one
CID 89266734
(E)-6-[2-methoxyethyl(methyl)amino]-2-methylhex-4-en-3-one
CID 90209215
5-[2-Methoxyethyl(methyl)amino]pent-3-en-2-one
CID 123324116
(E)-6-[2-methoxyethyl(methyl)amino]hex-4-en-3-one
CID 129093775
(E)-1-[2-methoxyethyl(methyl)amino]-6,6-dimethylhept-2-en-4-one
CID 134579112
methyl 2-[methyl-[(E)-5-methyl-4-oxohex-2-enyl]amino]acetate
CID 135175893
(E)-6-[2-hydroxyethyl(methyl)amino]-2-methylhex-4-en-3-one
CID 135175896
(E)-6-(2-methoxyethylamino)-2-methylhex-4-en-3-one
CID 135175938
(E)-5,5-dimethyl-1-morpholin-4-ylhept-2-en-4-one
CID 135217769

Frequently Asked Questions

What is the IUPAC name of (E)-1-[2-methoxyethyl(methyl)amino]-5-methylhept-2-en-4-one?
The IUPAC name of (E)-1-[2-methoxyethyl(methyl)amino]-5-methylhept-2-en-4-one (CID 129142750) is (E)-1-[2-methoxyethyl(methyl)amino]-5-methylhept-2-en-4-one.
What is the SMILES notation for (E)-1-[2-methoxyethyl(methyl)amino]-5-methylhept-2-en-4-one?
The canonical SMILES for (E)-1-[2-methoxyethyl(methyl)amino]-5-methylhept-2-en-4-one is CCC(C)C(=O)/C=C/CN(C)CCOC.
What is the InChIKey of (E)-1-[2-methoxyethyl(methyl)amino]-5-methylhept-2-en-4-one?
The InChIKey is WJGNFAQYHUQXEF-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H23NO2/c1-5-11(2)12(14)7-6-8-13(3)9-10-15-4/h6-7,11H,5,8-10H2,1-4H3/b7-6+.
What are the key properties of (E)-1-[2-methoxyethyl(methyl)amino]-5-methylhept-2-en-4-one?
(E)-1-[2-methoxyethyl(methyl)amino]-5-methylhept-2-en-4-one has a molecular weight of 213.32 g/mol, XLogP of 1.74, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[2-methoxyethyl(methyl)amino]-5-methylhept-2-en-4-one is sourced from PubChem (CID 129142750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).