2,2-dimethyloct-5-enamide

C10H19NO — CID 174985624

IUPAC2,2-dimethyloct-5-enamide
SMILESCCC=CCCC(C)(C)C(N)=O
InChIInChI=1S/C10H19NO/c1-4-5-6-7-8-10(2,3)9(11)12/h5-6H,4,7-8H2,1-3H3,(H2,11,12)
InChIKeyUSMHYBJNNPMJOK-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.24
Rot. Bonds5

About 2,2-dimethyloct-5-enamide

2,2-dimethyloct-5-enamide (PubChem CID 174985624) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2,2-dimethyloct-5-enamide.

Molecular Properties

Compound Name2,2-dimethyloct-5-enamide
PubChem CID174985624
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2,2-dimethyloct-5-enamide
SMILESCCC=CCCC(C)(C)C(N)=O
InChIInChI=1S/C10H19NO/c1-4-5-6-7-8-10(2,3)9(11)12/h5-6H,4,7-8H2,1-3H3,(H2,11,12)
InChIKeyUSMHYBJNNPMJOK-UHFFFAOYSA-N
XLogP2.24
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-6-iodo-2,2-dimethylhex-5-enamide
CID 102385891
2,2-dimethylicos-11-enamide
CID 57244584
carbamic acid;(Z)-hex-3-ene
CID 158256779
carbamic acid;hex-3-ene
CID 175321124
diethyl 2,2-bis(hex-3-enyl)propanedioate
CID 139700137
(Z)-2-hydroxy-2-methylhex-3-enamide
CID 146609859
(2Z)-nona-2,6-dienamide
CID 87394391
3-methylnon-6-en-3-yl acetate
CID 131887994
dimethyl 2,2-bis[(Z)-hex-3-enyl]propanedioate
CID 166006092
hex-3-enyl 2,2-dimethylpropanoate
CID 3019988
[(2E,10E)-7,7-dimethyltrideca-2,10-dienyl] acetate
CID 135274081
4-amino-2,2-dimethylbutanamide
CID 23366310

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyloct-5-enamide?
The IUPAC name of 2,2-dimethyloct-5-enamide (CID 174985624) is 2,2-dimethyloct-5-enamide.
What is the SMILES notation for 2,2-dimethyloct-5-enamide?
The canonical SMILES for 2,2-dimethyloct-5-enamide is CCC=CCCC(C)(C)C(N)=O.
What is the InChIKey of 2,2-dimethyloct-5-enamide?
The InChIKey is USMHYBJNNPMJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-5-6-7-8-10(2,3)9(11)12/h5-6H,4,7-8H2,1-3H3,(H2,11,12).
What are the key properties of 2,2-dimethyloct-5-enamide?
2,2-dimethyloct-5-enamide has a molecular weight of 169.27 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyloct-5-enamide is sourced from PubChem (CID 174985624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).