(Z)-5-[2-(dimethylamino)ethylamino]-2,2,6,6-tetramethylhept-4-en-3-one

C15H30N2O — CID 59155340

IUPAC(Z)-5-[2-(dimethylamino)ethylamino]-2,2,6,6-tetramethylhept-4-en-3-one
SMILESCN(C)CCN/C(=C\C(=O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H30N2O/c1-14(2,3)12(16-9-10-17(7)8)11-13(18)15(4,5)6/h11,16H,9-10H2,1-8H3/b12-11-
InChIKeyZTUYAVMCEQNBMI-QXMHVHEDSA-N
MW254.42 g/mol
LogP2.68
Rot. Bonds5

About (Z)-5-[2-(dimethylamino)ethylamino]-2,2,6,6-tetramethylhept-4-en-3-one

(Z)-5-[2-(dimethylamino)ethylamino]-2,2,6,6-tetramethylhept-4-en-3-one (PubChem CID 59155340) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is (Z)-5-[2-(dimethylamino)ethylamino]-2,2,6,6-tetramethylhept-4-en-3-one.

Molecular Properties

Compound Name(Z)-5-[2-(dimethylamino)ethylamino]-2,2,6,6-tetramethylhept-4-en-3-one
PubChem CID59155340
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name(Z)-5-[2-(dimethylamino)ethylamino]-2,2,6,6-tetramethylhept-4-en-3-one
SMILESCN(C)CCN/C(=C\C(=O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H30N2O/c1-14(2,3)12(16-9-10-17(7)8)11-13(18)15(4,5)6/h11,16H,9-10H2,1-8H3/b12-11-
InChIKeyZTUYAVMCEQNBMI-QXMHVHEDSA-N
XLogP2.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-5-[2-(dimethylamino)ethylamino]-2,2,6,6-tetramethylhept-4-en-3-one?
The IUPAC name of (Z)-5-[2-(dimethylamino)ethylamino]-2,2,6,6-tetramethylhept-4-en-3-one (CID 59155340) is (Z)-5-[2-(dimethylamino)ethylamino]-2,2,6,6-tetramethylhept-4-en-3-one.
What is the SMILES notation for (Z)-5-[2-(dimethylamino)ethylamino]-2,2,6,6-tetramethylhept-4-en-3-one?
The canonical SMILES for (Z)-5-[2-(dimethylamino)ethylamino]-2,2,6,6-tetramethylhept-4-en-3-one is CN(C)CCN/C(=C\C(=O)C(C)(C)C)C(C)(C)C.
What is the InChIKey of (Z)-5-[2-(dimethylamino)ethylamino]-2,2,6,6-tetramethylhept-4-en-3-one?
The InChIKey is ZTUYAVMCEQNBMI-QXMHVHEDSA-N. The full InChI is InChI=1S/C15H30N2O/c1-14(2,3)12(16-9-10-17(7)8)11-13(18)15(4,5)6/h11,16H,9-10H2,1-8H3/b12-11-.
What are the key properties of (Z)-5-[2-(dimethylamino)ethylamino]-2,2,6,6-tetramethylhept-4-en-3-one?
(Z)-5-[2-(dimethylamino)ethylamino]-2,2,6,6-tetramethylhept-4-en-3-one has a molecular weight of 254.42 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-[2-(dimethylamino)ethylamino]-2,2,6,6-tetramethylhept-4-en-3-one is sourced from PubChem (CID 59155340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).