3-(ethylamino)undec-3-en-5-one

C13H25NO — CID 71405997

IUPAC3-(ethylamino)undec-3-en-5-one
SMILESCCCCCCC(=O)C=C(CC)NCC
InChIInChI=1S/C13H25NO/c1-4-7-8-9-10-13(15)11-12(5-2)14-6-3/h11,14H,4-10H2,1-3H3
InChIKeyIOJSLJAAKLQSKZ-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.43
Rot. Bonds9

About 3-(ethylamino)undec-3-en-5-one

3-(ethylamino)undec-3-en-5-one (PubChem CID 71405997) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 3-(ethylamino)undec-3-en-5-one.

Molecular Properties

Compound Name3-(ethylamino)undec-3-en-5-one
PubChem CID71405997
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name3-(ethylamino)undec-3-en-5-one
SMILESCCCCCCC(=O)C=C(CC)NCC
InChIInChI=1S/C13H25NO/c1-4-7-8-9-10-13(15)11-12(5-2)14-6-3/h11,14H,4-10H2,1-3H3
InChIKeyIOJSLJAAKLQSKZ-UHFFFAOYSA-N
XLogP3.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.43
H-Bond Donors ≤ 51
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'}

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Related Compounds

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CID 18377756
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(Z)-12-methylhenicos-11-en-10-one
CID 122379193
(Z)-11-hydroxynonadec-10-en-9-one
CID 58983053
(Z)-7-hydroxyhexacos-7-en-9-one
CID 122377980
N-[(octadecanoylamino)methyl]tetracosanamide
CID 123600092
N-[2-(heptadecanoylamino)ethyl]heptadecanamide
CID 22065407
N-decanoyldecanamide
CID 87914075
1-N',9-N'-di(heptanoyl)nonanedihydrazide
CID 154340616
N-pentylicosanamide
CID 139961886

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)undec-3-en-5-one?
The IUPAC name of 3-(ethylamino)undec-3-en-5-one (CID 71405997) is 3-(ethylamino)undec-3-en-5-one.
What is the SMILES notation for 3-(ethylamino)undec-3-en-5-one?
The canonical SMILES for 3-(ethylamino)undec-3-en-5-one is CCCCCCC(=O)C=C(CC)NCC.
What is the InChIKey of 3-(ethylamino)undec-3-en-5-one?
The InChIKey is IOJSLJAAKLQSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-7-8-9-10-13(15)11-12(5-2)14-6-3/h11,14H,4-10H2,1-3H3.
What are the key properties of 3-(ethylamino)undec-3-en-5-one?
3-(ethylamino)undec-3-en-5-one has a molecular weight of 211.35 g/mol, XLogP of 3.43, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)undec-3-en-5-one is sourced from PubChem (CID 71405997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).