2-imino-6,10-dimethyl-4-(2-methylhex-4-enyl)undec-4-ene-3,8-dione

C20H33NO2 — CID 123665049

IUPAC2-imino-6,10-dimethyl-4-(2-methylhex-4-enyl)undec-4-ene-3,8-dione
SMILES[H]/N=C(\C)C(=O)C(=CC(C)CC(=O)CC(C)C)CC(C)CC=CC
InChIInChI=1S/C20H33NO2/c1-7-8-9-15(4)11-18(20(23)17(6)21)12-16(5)13-19(22)10-14(2)3/h7-8,12,14-16,21H,9-11,13H2,1-6H3/b8-7?,18-12?,21-17+
InChIKeyZAZODGDZQBYRFX-SOIIXKNASA-N
MW319.49 g/mol
LogP5.16
Rot. Bonds11

About 2-imino-6,10-dimethyl-4-(2-methylhex-4-enyl)undec-4-ene-3,8-dione

2-imino-6,10-dimethyl-4-(2-methylhex-4-enyl)undec-4-ene-3,8-dione (PubChem CID 123665049) has the molecular formula C20H33NO2 and a molecular weight of 319.49 g/mol. Its IUPAC name is 2-imino-6,10-dimethyl-4-(2-methylhex-4-enyl)undec-4-ene-3,8-dione.

Molecular Properties

Compound Name2-imino-6,10-dimethyl-4-(2-methylhex-4-enyl)undec-4-ene-3,8-dione
PubChem CID123665049
Molecular FormulaC20H33NO2
Molecular Weight319.49 g/mol
Exact Mass319.25
IUPAC Name2-imino-6,10-dimethyl-4-(2-methylhex-4-enyl)undec-4-ene-3,8-dione
SMILES[H]/N=C(\C)C(=O)C(=CC(C)CC(=O)CC(C)C)CC(C)CC=CC
InChIInChI=1S/C20H33NO2/c1-7-8-9-15(4)11-18(20(23)17(6)21)12-16(5)13-19(22)10-14(2)3/h7-8,12,14-16,21H,9-11,13H2,1-6H3/b8-7?,18-12?,21-17+
InChIKeyZAZODGDZQBYRFX-SOIIXKNASA-N
XLogP5.16
TPSA57.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.49
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3,5-Dimethyl-1,4-benzoquinonimine
CID 129743105
Di-t-butyl-1,4-benzoquinonimine
CID 129745327
Diethylbenzoquinonimine
CID 129850744
Ethylmethylbenzoquinoneimine
CID 166174992
(6Z)-6-hydroxyimino-4-pentylcyclohex-2-en-1-one
CID 88025941
(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
10-Ethanimidoyl-3,7,11,11-tetramethyldodec-7-ene-2,9-dione
CID 91000485
5-Ethanimidoyl-2,6,6-trimethyl-1-[1-methyl-2-(3-oxobutan-2-yl)cyclopropyl]hept-2-en-4-one
CID 91076788
(E)-1-(2,3,4,4a,5,6,7,8,9,10,11,11a-dodecahydro-1H-benzo[9]annulen-8-yl)-5-cycloheptyl-5-imino-3-methylpent-2-ene-1,4-dione
CID 91195423
(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

Frequently Asked Questions

What is the IUPAC name of 2-imino-6,10-dimethyl-4-(2-methylhex-4-enyl)undec-4-ene-3,8-dione?
The IUPAC name of 2-imino-6,10-dimethyl-4-(2-methylhex-4-enyl)undec-4-ene-3,8-dione (CID 123665049) is 2-imino-6,10-dimethyl-4-(2-methylhex-4-enyl)undec-4-ene-3,8-dione.
What is the SMILES notation for 2-imino-6,10-dimethyl-4-(2-methylhex-4-enyl)undec-4-ene-3,8-dione?
The canonical SMILES for 2-imino-6,10-dimethyl-4-(2-methylhex-4-enyl)undec-4-ene-3,8-dione is [H]/N=C(\C)C(=O)C(=CC(C)CC(=O)CC(C)C)CC(C)CC=CC.
What is the InChIKey of 2-imino-6,10-dimethyl-4-(2-methylhex-4-enyl)undec-4-ene-3,8-dione?
The InChIKey is ZAZODGDZQBYRFX-SOIIXKNASA-N. The full InChI is InChI=1S/C20H33NO2/c1-7-8-9-15(4)11-18(20(23)17(6)21)12-16(5)13-19(22)10-14(2)3/h7-8,12,14-16,21H,9-11,13H2,1-6H3/b8-7?,18-12?,21-17+.
What are the key properties of 2-imino-6,10-dimethyl-4-(2-methylhex-4-enyl)undec-4-ene-3,8-dione?
2-imino-6,10-dimethyl-4-(2-methylhex-4-enyl)undec-4-ene-3,8-dione has a molecular weight of 319.49 g/mol, XLogP of 5.16, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-6,10-dimethyl-4-(2-methylhex-4-enyl)undec-4-ene-3,8-dione is sourced from PubChem (CID 123665049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).