(E)-N,N,6,6-tetramethylhept-2-enamide

C11H21NO — CID 176757797

IUPAC(E)-N,N,6,6-tetramethylhept-2-enamide
SMILESCN(C)C(=O)/C=C/CCC(C)(C)C
InChIInChI=1S/C11H21NO/c1-11(2,3)9-7-6-8-10(13)12(4)5/h6,8H,7,9H2,1-5H3/b8-6+
InChIKeyFHWYIQCHKLBDBH-SOFGYWHQSA-N
MW183.29 g/mol
LogP2.46
Rot. Bonds3

About (E)-N,N,6,6-tetramethylhept-2-enamide

(E)-N,N,6,6-tetramethylhept-2-enamide (PubChem CID 176757797) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (E)-N,N,6,6-tetramethylhept-2-enamide.

Molecular Properties

Compound Name(E)-N,N,6,6-tetramethylhept-2-enamide
PubChem CID176757797
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(E)-N,N,6,6-tetramethylhept-2-enamide
SMILESCN(C)C(=O)/C=C/CCC(C)(C)C
InChIInChI=1S/C11H21NO/c1-11(2,3)9-7-6-8-10(13)12(4)5/h6,8H,7,9H2,1-5H3/b8-6+
InChIKeyFHWYIQCHKLBDBH-SOFGYWHQSA-N
XLogP2.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-N,N-dimethylpent-2-enamide
CID 141430531
(E)-4-(tert-butylamino)-N,N-dimethylbut-2-enamide
CID 134295928
N,N-dimethylpentadec-2-enamide
CID 123899063
(E)-N,N-dimethylpent-2-enamide;ethane
CID 162375612
(E,2S)-2-amino-7-(dimethylamino)-7-oxohept-5-enoic acid
CID 146349443
(E)-7,7-dimethyloct-3-enoic acid
CID 155169121
tert-butyl (E)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-7-(dimethylamino)-7-oxohept-5-enoate
CID 170188445
(E)-N,N,5-trimethyl-5-(2-methyloxiran-2-yl)hex-2-enamide
CID 11252824
(E)-5-(dimethylamino)-N,N-dimethylhex-2-enamide
CID 44570055
(E,2S)-7-(dimethylamino)-2-(dimethylcarbamoylamino)-7-oxohept-5-enoic acid
CID 146363470
2,2-dimethyldec-6-en-5-one
CID 141426644
(2E,6E)-9-iodo-N-methoxy-N-methylnona-2,6-dienamide
CID 89219272

Frequently Asked Questions

What is the IUPAC name of (E)-N,N,6,6-tetramethylhept-2-enamide?
The IUPAC name of (E)-N,N,6,6-tetramethylhept-2-enamide (CID 176757797) is (E)-N,N,6,6-tetramethylhept-2-enamide.
What is the SMILES notation for (E)-N,N,6,6-tetramethylhept-2-enamide?
The canonical SMILES for (E)-N,N,6,6-tetramethylhept-2-enamide is CN(C)C(=O)/C=C/CCC(C)(C)C.
What is the InChIKey of (E)-N,N,6,6-tetramethylhept-2-enamide?
The InChIKey is FHWYIQCHKLBDBH-SOFGYWHQSA-N. The full InChI is InChI=1S/C11H21NO/c1-11(2,3)9-7-6-8-10(13)12(4)5/h6,8H,7,9H2,1-5H3/b8-6+.
What are the key properties of (E)-N,N,6,6-tetramethylhept-2-enamide?
(E)-N,N,6,6-tetramethylhept-2-enamide has a molecular weight of 183.29 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N,6,6-tetramethylhept-2-enamide is sourced from PubChem (CID 176757797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).