4,5-dimethyl-6-propanimidoyldeca-1,6-dien-3-one

C15H25NO — CID 123237655

IUPAC4,5-dimethyl-6-propanimidoyldeca-1,6-dien-3-one
SMILES[H]/N=C(\CC)C(=CCCC)C(C)C(C)C(=O)C=C
InChIInChI=1S/C15H25NO/c1-6-9-10-13(14(16)7-2)11(4)12(5)15(17)8-3/h8,10-12,16H,3,6-7,9H2,1-2,4-5H3/b13-10?,16-14+
InChIKeyCJULSDFOKNMNJS-FBQFHJERSA-N
MW235.37 g/mol
LogP4.17
Rot. Bonds8

About 4,5-dimethyl-6-propanimidoyldeca-1,6-dien-3-one

4,5-dimethyl-6-propanimidoyldeca-1,6-dien-3-one (PubChem CID 123237655) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 4,5-dimethyl-6-propanimidoyldeca-1,6-dien-3-one.

Molecular Properties

Compound Name4,5-dimethyl-6-propanimidoyldeca-1,6-dien-3-one
PubChem CID123237655
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name4,5-dimethyl-6-propanimidoyldeca-1,6-dien-3-one
SMILES[H]/N=C(\CC)C(=CCCC)C(C)C(C)C(=O)C=C
InChIInChI=1S/C15H25NO/c1-6-9-10-13(14(16)7-2)11(4)12(5)15(17)8-3/h8,10-12,16H,3,6-7,9H2,1-2,4-5H3/b13-10?,16-14+
InChIKeyCJULSDFOKNMNJS-FBQFHJERSA-N
XLogP4.17
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Di-t-butyl-1,4-benzoquinonimine
CID 129745327
Diethylbenzoquinonimine
CID 129850744
[2-(6-Oxocyclohexa-2,4-dien-1-yl)cyclohexylidene]azanium
CID 135015036
Ethylmethylbenzoquinoneimine
CID 166174992
4-Imino-2,6-dimethylcyclohex-2-en-1-one
CID 178244250
(9E,12E)-13-ethyl-8-imino-4,9,10,15-tetramethyl-5-(3-methylbut-1-en-2-yl)hexadeca-9,12-dien-2-one
CID 90875133
2-Imino-6-methyldec-8-en-3-one
CID 90885707
1-(4-Iminocyclohex-2-en-1-yl)ethanone
CID 90892543
10-Ethanimidoyl-3,7,11,11-tetramethyldodec-7-ene-2,9-dione
CID 91000485
(Z,5E)-5-ethylidene-6-imino-3-methyldec-7-en-4-one
CID 91262997
4-(3-Imino-4,4-dimethylpentanoyl)-5-methylcyclohex-3-en-1-one
CID 91273740
(E)-8-imino-3-methyl-7-methylideneundec-9-en-2-one
CID 123151880

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-6-propanimidoyldeca-1,6-dien-3-one?
The IUPAC name of 4,5-dimethyl-6-propanimidoyldeca-1,6-dien-3-one (CID 123237655) is 4,5-dimethyl-6-propanimidoyldeca-1,6-dien-3-one.
What is the SMILES notation for 4,5-dimethyl-6-propanimidoyldeca-1,6-dien-3-one?
The canonical SMILES for 4,5-dimethyl-6-propanimidoyldeca-1,6-dien-3-one is [H]/N=C(\CC)C(=CCCC)C(C)C(C)C(=O)C=C.
What is the InChIKey of 4,5-dimethyl-6-propanimidoyldeca-1,6-dien-3-one?
The InChIKey is CJULSDFOKNMNJS-FBQFHJERSA-N. The full InChI is InChI=1S/C15H25NO/c1-6-9-10-13(14(16)7-2)11(4)12(5)15(17)8-3/h8,10-12,16H,3,6-7,9H2,1-2,4-5H3/b13-10?,16-14+.
What are the key properties of 4,5-dimethyl-6-propanimidoyldeca-1,6-dien-3-one?
4,5-dimethyl-6-propanimidoyldeca-1,6-dien-3-one has a molecular weight of 235.37 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-6-propanimidoyldeca-1,6-dien-3-one is sourced from PubChem (CID 123237655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).