ethane;N-[(3E)-hexa-3,5-dien-3-yl]-2,2-dimethylpropanamide;methanimine

C14H28N2O — CID 155734679

IUPACethane;N-[(3E)-hexa-3,5-dien-3-yl]-2,2-dimethylpropanamide;methanimine
SMILESC=C/C=C(\CC)NC(=O)C(C)(C)C.CC.[H]N=C
InChIInChI=1S/C11H19NO.C2H6.CH3N/c1-6-8-9(7-2)12-10(13)11(3,4)5;2*1-2/h6,8H,1,7H2,2-5H3,(H,12,13);1-2H3;2H,1H2/b9-8+;;
InChIKeyGYVBVVGXRGVABU-YEUQMBKVSA-N
MW240.39 g/mol
LogP3.92
Rot. Bonds3

About ethane;N-[(3E)-hexa-3,5-dien-3-yl]-2,2-dimethylpropanamide;methanimine

ethane;N-[(3E)-hexa-3,5-dien-3-yl]-2,2-dimethylpropanamide;methanimine (PubChem CID 155734679) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is ethane;N-[(3E)-hexa-3,5-dien-3-yl]-2,2-dimethylpropanamide;methanimine.

Molecular Properties

Compound Nameethane;N-[(3E)-hexa-3,5-dien-3-yl]-2,2-dimethylpropanamide;methanimine
PubChem CID155734679
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Nameethane;N-[(3E)-hexa-3,5-dien-3-yl]-2,2-dimethylpropanamide;methanimine
SMILESC=C/C=C(\CC)NC(=O)C(C)(C)C.CC.[H]N=C
InChIInChI=1S/C11H19NO.C2H6.CH3N/c1-6-8-9(7-2)12-10(13)11(3,4)5;2*1-2/h6,8H,1,7H2,2-5H3,(H,12,13);1-2H3;2H,1H2/b9-8+;;
InChIKeyGYVBVVGXRGVABU-YEUQMBKVSA-N
XLogP3.92
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-cyclopenta-2,4-dien-1-ylideneethyl)-2,2-dimethylpropanamide
CID 67558352
3,7-dimethyl-1,3-dihydro-2H-azepin-2-one
CID 282212
N-[(2E)-6-fluoroocta-2,4,7-trien-2-yl]-2-methylpropanamide
CID 142986720
N-cyclopenta-1,3-dien-1-yl-2-methylpropanamide
CID 20078647
N-cyclohexa-1,5-dien-1-yl-2,2-dimethylpropanamide
CID 20455832
N-cyclohexa-1,3-dien-1-yl-2,2-dimethylpropanamide
CID 23070366
N-cyclopenta-1,3-dien-1-ylpropanamide
CID 58065569
N-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]propanamide
CID 89366304
N-[(4Z)-2,6-dimethylhepta-2,4,6-trien-3-yl]propanamide
CID 89688611
N-(6,6-dimethylocta-2,4,7-trien-2-yl)acetamide
CID 91304692
(3E)-3-acetamido-N-[(2E)-penta-2,4-dien-2-yl]hexa-3,5-dienamide
CID 121354391
2,2-dimethyl-N-[4-(methylideneamino)penta-1,3-dien-2-yl]propanamide
CID 123482195

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(3E)-hexa-3,5-dien-3-yl]-2,2-dimethylpropanamide;methanimine?
The IUPAC name of ethane;N-[(3E)-hexa-3,5-dien-3-yl]-2,2-dimethylpropanamide;methanimine (CID 155734679) is ethane;N-[(3E)-hexa-3,5-dien-3-yl]-2,2-dimethylpropanamide;methanimine.
What is the SMILES notation for ethane;N-[(3E)-hexa-3,5-dien-3-yl]-2,2-dimethylpropanamide;methanimine?
The canonical SMILES for ethane;N-[(3E)-hexa-3,5-dien-3-yl]-2,2-dimethylpropanamide;methanimine is C=C/C=C(\CC)NC(=O)C(C)(C)C.CC.[H]N=C.
What is the InChIKey of ethane;N-[(3E)-hexa-3,5-dien-3-yl]-2,2-dimethylpropanamide;methanimine?
The InChIKey is GYVBVVGXRGVABU-YEUQMBKVSA-N. The full InChI is InChI=1S/C11H19NO.C2H6.CH3N/c1-6-8-9(7-2)12-10(13)11(3,4)5;2*1-2/h6,8H,1,7H2,2-5H3,(H,12,13);1-2H3;2H,1H2/b9-8+;;.
What are the key properties of ethane;N-[(3E)-hexa-3,5-dien-3-yl]-2,2-dimethylpropanamide;methanimine?
ethane;N-[(3E)-hexa-3,5-dien-3-yl]-2,2-dimethylpropanamide;methanimine has a molecular weight of 240.39 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(3E)-hexa-3,5-dien-3-yl]-2,2-dimethylpropanamide;methanimine is sourced from PubChem (CID 155734679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).