(E)-6-[ethyl(methyl)amino]-2-methylhex-4-en-3-one

C10H19NO — CID 129266105

IUPAC(E)-6-[ethyl(methyl)amino]-2-methylhex-4-en-3-one
SMILESCCN(C)C/C=C/C(=O)C(C)C
InChIInChI=1S/C10H19NO/c1-5-11(4)8-6-7-10(12)9(2)3/h6-7,9H,5,8H2,1-4H3/b7-6+
InChIKeyRZCCBIQDRWYPDL-VOTSOKGWSA-N
MW169.27 g/mol
LogP1.72
Rot. Bonds5

About (E)-6-[ethyl(methyl)amino]-2-methylhex-4-en-3-one

(E)-6-[ethyl(methyl)amino]-2-methylhex-4-en-3-one (PubChem CID 129266105) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (E)-6-[ethyl(methyl)amino]-2-methylhex-4-en-3-one.

Molecular Properties

Compound Name(E)-6-[ethyl(methyl)amino]-2-methylhex-4-en-3-one
PubChem CID129266105
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(E)-6-[ethyl(methyl)amino]-2-methylhex-4-en-3-one
SMILESCCN(C)C/C=C/C(=O)C(C)C
InChIInChI=1S/C10H19NO/c1-5-11(4)8-6-7-10(12)9(2)3/h6-7,9H,5,8H2,1-4H3/b7-6+
InChIKeyRZCCBIQDRWYPDL-VOTSOKGWSA-N
XLogP1.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N,N-diethyl-5-methylhex-2-enamide
CID 14340793
(E)-6-(3-fluoroazetidin-1-yl)-2-methylhex-4-en-3-one
CID 90209213
(E)-6-[4-(2-fluoroethyl)piperazin-1-yl]-2-methylhex-4-en-3-one
CID 124168770
(E)-6-(3-fluoro-3-methylazetidin-1-yl)-2-methylhex-4-en-3-one
CID 126624316
(Z)-6-(dimethylamino)-4-fluoro-2-methylhex-4-en-3-one
CID 135165376
(E)-6-[2-fluoroethyl(methyl)amino]hex-4-en-3-one
CID 135175894
(E)-6-[2-fluoroethyl(methyl)amino]-2-methylhex-4-en-3-one
CID 135175990
(5E)-7-(dimethylamino)-5-fluorohepta-1,5-dien-4-one
CID 146478432
(E)-6-(3-fluoropyrrolidin-1-yl)-2-methylhex-4-en-3-one
CID 162375421
(E)-6-(dimethylamino)-4-fluoro-2-methylhex-4-en-3-one
CID 162375507
ethane;(E)-2-methyl-6-[methyl(2,2,2-trifluoroethyl)amino]hex-4-en-3-one
CID 162375550
(E)-2-methyl-6-[methyl(2,2,2-trifluoroethyl)amino]hex-4-en-3-one
CID 162375551

Frequently Asked Questions

What is the IUPAC name of (E)-6-[ethyl(methyl)amino]-2-methylhex-4-en-3-one?
The IUPAC name of (E)-6-[ethyl(methyl)amino]-2-methylhex-4-en-3-one (CID 129266105) is (E)-6-[ethyl(methyl)amino]-2-methylhex-4-en-3-one.
What is the SMILES notation for (E)-6-[ethyl(methyl)amino]-2-methylhex-4-en-3-one?
The canonical SMILES for (E)-6-[ethyl(methyl)amino]-2-methylhex-4-en-3-one is CCN(C)C/C=C/C(=O)C(C)C.
What is the InChIKey of (E)-6-[ethyl(methyl)amino]-2-methylhex-4-en-3-one?
The InChIKey is RZCCBIQDRWYPDL-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H19NO/c1-5-11(4)8-6-7-10(12)9(2)3/h6-7,9H,5,8H2,1-4H3/b7-6+.
What are the key properties of (E)-6-[ethyl(methyl)amino]-2-methylhex-4-en-3-one?
(E)-6-[ethyl(methyl)amino]-2-methylhex-4-en-3-one has a molecular weight of 169.27 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-[ethyl(methyl)amino]-2-methylhex-4-en-3-one is sourced from PubChem (CID 129266105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).