(E)-1-(dimethylamino)-5-pentyldec-2-en-4-one

C17H33NO — CID 137471263

IUPAC(E)-1-(dimethylamino)-5-pentyldec-2-en-4-one
SMILESCCCCCC(CCCCC)C(=O)/C=C/CN(C)C
InChIInChI=1S/C17H33NO/c1-5-7-9-12-16(13-10-8-6-2)17(19)14-11-15-18(3)4/h11,14,16H,5-10,12-13,15H2,1-4H3/b14-11+
InChIKeyRWFFGKFYUOHPME-SDNWHVSQSA-N
MW267.46 g/mol
LogP4.45
Rot. Bonds12

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

(E)-1-(dimethylamino)-5-pentyldec-2-en-4-one (PubChem CID 137471263) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is (E)-1-(dimethylamino)-5-pentyldec-2-en-4-one.

Molecular Properties

Compound Name(E)-1-(dimethylamino)-5-pentyldec-2-en-4-one
PubChem CID137471263
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name(E)-1-(dimethylamino)-5-pentyldec-2-en-4-one
SMILESCCCCCC(CCCCC)C(=O)/C=C/CN(C)C
InChIInChI=1S/C17H33NO/c1-5-7-9-12-16(13-10-8-6-2)17(19)14-11-15-18(3)4/h11,14,16H,5-10,12-13,15H2,1-4H3/b14-11+
InChIKeyRWFFGKFYUOHPME-SDNWHVSQSA-N
XLogP4.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.45
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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(dimethylamino)-5-pentyldec-2-en-4-one?
The IUPAC name of (E)-1-(dimethylamino)-5-pentyldec-2-en-4-one (CID 137471263) is (E)-1-(dimethylamino)-5-pentyldec-2-en-4-one.
What is the SMILES notation for (E)-1-(dimethylamino)-5-pentyldec-2-en-4-one?
The canonical SMILES for (E)-1-(dimethylamino)-5-pentyldec-2-en-4-one is CCCCCC(CCCCC)C(=O)/C=C/CN(C)C.
What is the InChIKey of (E)-1-(dimethylamino)-5-pentyldec-2-en-4-one?
The InChIKey is RWFFGKFYUOHPME-SDNWHVSQSA-N. The full InChI is InChI=1S/C17H33NO/c1-5-7-9-12-16(13-10-8-6-2)17(19)14-11-15-18(3)4/h11,14,16H,5-10,12-13,15H2,1-4H3/b14-11+.
What are the key properties of (E)-1-(dimethylamino)-5-pentyldec-2-en-4-one?
(E)-1-(dimethylamino)-5-pentyldec-2-en-4-one has a molecular weight of 267.46 g/mol, XLogP of 4.45, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(dimethylamino)-5-pentyldec-2-en-4-one is sourced from PubChem (CID 137471263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).