3-(dimethylamino)-3-hex-5-enylnon-8-en-2-one

C17H31NO — CID 122674374

IUPAC3-(dimethylamino)-3-hex-5-enylnon-8-en-2-one
SMILESC=CCCCCC(CCCCC=C)(C(C)=O)N(C)C
InChIInChI=1S/C17H31NO/c1-6-8-10-12-14-17(16(3)19,18(4)5)15-13-11-9-7-2/h6-7H,1-2,8-15H2,3-5H3
InChIKeySSQCNWPHWXZLLJ-UHFFFAOYSA-N
MW265.44 g/mol
LogP4.37
Rot. Bonds12

About 3-(dimethylamino)-3-hex-5-enylnon-8-en-2-one

3-(dimethylamino)-3-hex-5-enylnon-8-en-2-one (PubChem CID 122674374) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 3-(dimethylamino)-3-hex-5-enylnon-8-en-2-one.

Molecular Properties

Compound Name3-(dimethylamino)-3-hex-5-enylnon-8-en-2-one
PubChem CID122674374
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name3-(dimethylamino)-3-hex-5-enylnon-8-en-2-one
SMILESC=CCCCCC(CCCCC=C)(C(C)=O)N(C)C
InChIInChI=1S/C17H31NO/c1-6-8-10-12-14-17(16(3)19,18(4)5)15-13-11-9-7-2/h6-7H,1-2,8-15H2,3-5H3
InChIKeySSQCNWPHWXZLLJ-UHFFFAOYSA-N
XLogP4.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-but-3-enyl-2-methyl-4-[methyl(propan-2-yl)amino]oct-7-en-3-one;3-(dimethylamino)-3-hex-5-enylnon-8-en-2-one;4-hept-6-enyl-2-methyl-4-[methyl(propan-2-yl)amino]undec-10-en-3-one;2-methyl-4-[methyl(propan-2-yl)amino]-4-oct-7-enyldodec-11-en-3-one;2-methyl-4-[methyl(propan-2-yl)amino]-4-pent-4-enylnon-8-en-3-one;2-methyl-4-[methyl(propan-2-yl)amino]-4-prop-2-enylhept-6-en-3-one
CID 158598333
methyl (2S)-2-(dimethylamino)-2-methylnon-8-enoate
CID 58307948
(2S)-2-methyl-2-(methylamino)oct-7-enoic acid
CID 163656905
1-N,1-N',1-N"-triethyl-1-N,1-N',1-N"-trimethyldodec-11-ene-1,1,1-triamine
CID 172783861
[(1E)-octa-1,7-dienyl] acetate
CID 15724665
(2R)-2-methyl-2-(methylamino)dec-9-enoic acid
CID 131871099
2-bromo-2-methyltetradec-13-enoic acid
CID 87350164
3-ethyltridec-12-en-3-yl acetate
CID 15415275
2-amino-2-methyldec-9-enoic acid
CID 76833646
ethane;N-methyl-N-pent-4-enylacetamide
CID 143214157
(3S)-3-methyl-3-(methylamino)hept-6-en-2-one
CID 118335529
acetic acid;oct-1-ene
CID 159976970

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-3-hex-5-enylnon-8-en-2-one?
The IUPAC name of 3-(dimethylamino)-3-hex-5-enylnon-8-en-2-one (CID 122674374) is 3-(dimethylamino)-3-hex-5-enylnon-8-en-2-one.
What is the SMILES notation for 3-(dimethylamino)-3-hex-5-enylnon-8-en-2-one?
The canonical SMILES for 3-(dimethylamino)-3-hex-5-enylnon-8-en-2-one is C=CCCCCC(CCCCC=C)(C(C)=O)N(C)C.
What is the InChIKey of 3-(dimethylamino)-3-hex-5-enylnon-8-en-2-one?
The InChIKey is SSQCNWPHWXZLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-6-8-10-12-14-17(16(3)19,18(4)5)15-13-11-9-7-2/h6-7H,1-2,8-15H2,3-5H3.
What are the key properties of 3-(dimethylamino)-3-hex-5-enylnon-8-en-2-one?
3-(dimethylamino)-3-hex-5-enylnon-8-en-2-one has a molecular weight of 265.44 g/mol, XLogP of 4.37, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-3-hex-5-enylnon-8-en-2-one is sourced from PubChem (CID 122674374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).