N-(7,7-dimethyloct-5-ynyl)-2-methylpropanamide

C14H25NO — CID 176777066

IUPACN-(7,7-dimethyloct-5-ynyl)-2-methylpropanamide
SMILESCC(C)C(=O)NCCCCC#CC(C)(C)C
InChIInChI=1S/C14H25NO/c1-12(2)13(16)15-11-9-7-6-8-10-14(3,4)5/h12H,6-7,9,11H2,1-5H3,(H,15,16)
InChIKeyUOJQQCQQMNZWBJ-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.98
Rot. Bonds5

About N-(7,7-dimethyloct-5-ynyl)-2-methylpropanamide

N-(7,7-dimethyloct-5-ynyl)-2-methylpropanamide (PubChem CID 176777066) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-(7,7-dimethyloct-5-ynyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(7,7-dimethyloct-5-ynyl)-2-methylpropanamide
PubChem CID176777066
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-(7,7-dimethyloct-5-ynyl)-2-methylpropanamide
SMILESCC(C)C(=O)NCCCCC#CC(C)(C)C
InChIInChI=1S/C14H25NO/c1-12(2)13(16)15-11-9-7-6-8-10-14(3,4)5/h12H,6-7,9,11H2,1-5H3,(H,15,16)
InChIKeyUOJQQCQQMNZWBJ-UHFFFAOYSA-N
XLogP2.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[4-(methylamino)butyl]propanamide
CID 134337431
N-(4-iodobutyl)-2-methylpropanamide
CID 106846400
[(2S)-1-[4-[[(2S)-2-azaniumylpropanoyl]amino]butylamino]-1-oxopropan-2-yl]azanium dichloride
CID 10494630
2-methyl-N-(6-methylheptyl)propanamide
CID 139441078
N-(7-aminoheptyl)-2-methylpropanamide
CID 89281092
2-methyl-N-(9-methyl-8-oxodecyl)propanamide
CID 167573684
N-(3-aminopropyl)-2-methylpropanamide;hydrochloride
CID 71757297
1-(2-cyanoethyl)-3-(4,4-dimethylpent-2-ynyl)urea
CID 58790343
N-(4-bromopentyl)-2-methylpropanamide
CID 106130687
dimethyl-[3-(2-methylpropanoylamino)propyl]azanium chloride
CID 88863969
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-methylpropanamide
CID 154982765
2-bromo-N-(4-cyanobutyl)propanamide
CID 107905319

Frequently Asked Questions

What is the IUPAC name of N-(7,7-dimethyloct-5-ynyl)-2-methylpropanamide?
The IUPAC name of N-(7,7-dimethyloct-5-ynyl)-2-methylpropanamide (CID 176777066) is N-(7,7-dimethyloct-5-ynyl)-2-methylpropanamide.
What is the SMILES notation for N-(7,7-dimethyloct-5-ynyl)-2-methylpropanamide?
The canonical SMILES for N-(7,7-dimethyloct-5-ynyl)-2-methylpropanamide is CC(C)C(=O)NCCCCC#CC(C)(C)C.
What is the InChIKey of N-(7,7-dimethyloct-5-ynyl)-2-methylpropanamide?
The InChIKey is UOJQQCQQMNZWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-12(2)13(16)15-11-9-7-6-8-10-14(3,4)5/h12H,6-7,9,11H2,1-5H3,(H,15,16).
What are the key properties of N-(7,7-dimethyloct-5-ynyl)-2-methylpropanamide?
N-(7,7-dimethyloct-5-ynyl)-2-methylpropanamide has a molecular weight of 223.36 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,7-dimethyloct-5-ynyl)-2-methylpropanamide is sourced from PubChem (CID 176777066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).