(E)-5-butyl-1-(dimethylamino)-5-methylundec-2-en-4-one

C18H35NO — CID 126550718

IUPAC(E)-5-butyl-1-(dimethylamino)-5-methylundec-2-en-4-one
SMILESCCCCCCC(C)(CCCC)C(=O)/C=C/CN(C)C
InChIInChI=1S/C18H35NO/c1-6-8-10-11-15-18(3,14-9-7-2)17(20)13-12-16-19(4)5/h12-13H,6-11,14-16H2,1-5H3/b13-12+
InChIKeyOMVFHWRRVFKGNQ-OUKQBFOZSA-N
MW281.48 g/mol
LogP4.84
Rot. Bonds12

About (E)-5-butyl-1-(dimethylamino)-5-methylundec-2-en-4-one

(E)-5-butyl-1-(dimethylamino)-5-methylundec-2-en-4-one (PubChem CID 126550718) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is (E)-5-butyl-1-(dimethylamino)-5-methylundec-2-en-4-one.

Molecular Properties

Compound Name(E)-5-butyl-1-(dimethylamino)-5-methylundec-2-en-4-one
PubChem CID126550718
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name(E)-5-butyl-1-(dimethylamino)-5-methylundec-2-en-4-one
SMILESCCCCCCC(C)(CCCC)C(=O)/C=C/CN(C)C
InChIInChI=1S/C18H35NO/c1-6-8-10-11-15-18(3,14-9-7-2)17(20)13-12-16-19(4)5/h12-13H,6-11,14-16H2,1-5H3/b13-12+
InChIKeyOMVFHWRRVFKGNQ-OUKQBFOZSA-N
XLogP4.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-5-butyl-1-(dimethylamino)-5-methylundec-2-en-4-one with MolForge

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

Launch Full Analysis

Related Compounds

(E)-4-(dimethylamino)-N-(3-ethyl-3-methyl-2-oxoheptyl)but-2-enamide
CID 167152134
(E)-4-(dimethylamino)-N-(2,2-dimethylheptyl)-N-prop-2-enylbut-2-enamide
CID 146611805
(Z,4S)-4-[(dimethylamino)methyl]-4-methyl-1-phenyloct-1-en-3-one
CID 92528789
(E)-4-(dimethylamino)-N-pentadecan-8-ylbut-2-enamide
CID 139476661
2-decyl-2-methyltetradecanoic acid
CID 611890
2-decyl-2-methylicosanoic acid
CID 174997379
2-hexyl-2-methyldecanoic acid
CID 86051716
azanium;2-butyl-2-methylhexadecanoic acid;chloride
CID 161127184
2-hexyl-2-methylpentadecanoate
CID 57350898
11,15-didecyl-11,15-dimethylpentacosane-12,14-dione
CID 151089135
(2S)-2-hexyl-2-methyldecanethioic S-acid
CID 54063202
(3S)-3-ethyl-3-methylnonan-2-one
CID 177059310

Frequently Asked Questions

What is the IUPAC name of (E)-5-butyl-1-(dimethylamino)-5-methylundec-2-en-4-one?
The IUPAC name of (E)-5-butyl-1-(dimethylamino)-5-methylundec-2-en-4-one (CID 126550718) is (E)-5-butyl-1-(dimethylamino)-5-methylundec-2-en-4-one.
What is the SMILES notation for (E)-5-butyl-1-(dimethylamino)-5-methylundec-2-en-4-one?
The canonical SMILES for (E)-5-butyl-1-(dimethylamino)-5-methylundec-2-en-4-one is CCCCCCC(C)(CCCC)C(=O)/C=C/CN(C)C.
What is the InChIKey of (E)-5-butyl-1-(dimethylamino)-5-methylundec-2-en-4-one?
The InChIKey is OMVFHWRRVFKGNQ-OUKQBFOZSA-N. The full InChI is InChI=1S/C18H35NO/c1-6-8-10-11-15-18(3,14-9-7-2)17(20)13-12-16-19(4)5/h12-13H,6-11,14-16H2,1-5H3/b13-12+.
What are the key properties of (E)-5-butyl-1-(dimethylamino)-5-methylundec-2-en-4-one?
(E)-5-butyl-1-(dimethylamino)-5-methylundec-2-en-4-one has a molecular weight of 281.48 g/mol, XLogP of 4.84, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-butyl-1-(dimethylamino)-5-methylundec-2-en-4-one is sourced from PubChem (CID 126550718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).