4-(ethylamino)-4-methylnon-8-en-2-one

C12H23NO — CID 123888692

IUPAC4-(ethylamino)-4-methylnon-8-en-2-one
SMILESC=CCCCC(C)(CC(C)=O)NCC
InChIInChI=1S/C12H23NO/c1-5-7-8-9-12(4,13-6-2)10-11(3)14/h5,13H,1,6-10H2,2-4H3
InChIKeyOGYLMODKXZPMLA-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.69
Rot. Bonds8

About 4-(ethylamino)-4-methylnon-8-en-2-one

4-(ethylamino)-4-methylnon-8-en-2-one (PubChem CID 123888692) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 4-(ethylamino)-4-methylnon-8-en-2-one.

Molecular Properties

Compound Name4-(ethylamino)-4-methylnon-8-en-2-one
PubChem CID123888692
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name4-(ethylamino)-4-methylnon-8-en-2-one
SMILESC=CCCCC(C)(CC(C)=O)NCC
InChIInChI=1S/C12H23NO/c1-5-7-8-9-12(4,13-6-2)10-11(3)14/h5,13H,1,6-10H2,2-4H3
InChIKeyOGYLMODKXZPMLA-UHFFFAOYSA-N
XLogP2.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
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

2,2-dimethylhept-6-en-1-ol
CID 12063159
methyl 3-(ethylamino)-3-methyldecanoate
CID 65234959
(3S)-3-methyl-3-(methylamino)hept-6-en-2-one
CID 118335529
2-methyl-2-propyldec-9-enoic acid
CID 151821272
2-bromo-2-methylhept-6-enoic acid
CID 14195750
(4S)-2,4-dimethyl-4-(propan-2-ylamino)non-8-en-3-one
CID 58307974
acetic acid;ethene;hex-1-ene
CID 174309563
3-(dimethylamino)-3-hex-5-enylnon-8-en-2-one
CID 122674374
N-tert-butylhex-5-enamide
CID 15640339
3-(hept-6-enylamino)-3-methylbutanamide
CID 107167055
(2S)-2-methyl-2-(methylamino)oct-7-enoic acid
CID 163656905
6,6-dimethylnon-8-en-2-one
CID 146166947

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-4-methylnon-8-en-2-one?
The IUPAC name of 4-(ethylamino)-4-methylnon-8-en-2-one (CID 123888692) is 4-(ethylamino)-4-methylnon-8-en-2-one.
What is the SMILES notation for 4-(ethylamino)-4-methylnon-8-en-2-one?
The canonical SMILES for 4-(ethylamino)-4-methylnon-8-en-2-one is C=CCCCC(C)(CC(C)=O)NCC.
What is the InChIKey of 4-(ethylamino)-4-methylnon-8-en-2-one?
The InChIKey is OGYLMODKXZPMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-5-7-8-9-12(4,13-6-2)10-11(3)14/h5,13H,1,6-10H2,2-4H3.
What are the key properties of 4-(ethylamino)-4-methylnon-8-en-2-one?
4-(ethylamino)-4-methylnon-8-en-2-one has a molecular weight of 197.32 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-4-methylnon-8-en-2-one is sourced from PubChem (CID 123888692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).