N-hex-5-ynyl-3,3-dimethylbutanamide

C12H21NO — CID 103758094

IUPACN-hex-5-ynyl-3,3-dimethylbutanamide
SMILESC#CCCCCNC(=O)CC(C)(C)C
InChIInChI=1S/C12H21NO/c1-5-6-7-8-9-13-11(14)10-12(2,3)4/h1H,6-10H2,2-4H3,(H,13,14)
InChIKeyNKZNMZBKCRDTSZ-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.34
Rot. Bonds5

About N-hex-5-ynyl-3,3-dimethylbutanamide

N-hex-5-ynyl-3,3-dimethylbutanamide (PubChem CID 103758094) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-hex-5-ynyl-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-hex-5-ynyl-3,3-dimethylbutanamide
PubChem CID103758094
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-hex-5-ynyl-3,3-dimethylbutanamide
SMILESC#CCCCCNC(=O)CC(C)(C)C
InChIInChI=1S/C12H21NO/c1-5-6-7-8-9-13-11(14)10-12(2,3)4/h1H,6-10H2,2-4H3,(H,13,14)
InChIKeyNKZNMZBKCRDTSZ-UHFFFAOYSA-N
XLogP2.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.34
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

4-(hex-5-ynylamino)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 106208691
3,3-dimethyl-N-tetradecylbutanamide
CID 156529855
N-hex-5-ynyl-2-methylsulfonylacetamide
CID 103758108
6-amino-N-hex-5-ynyl-4,4-dimethylhexanamide
CID 106213131
N-(6-iodohexyl)-3,3-dimethylbutanamide
CID 107848022
2,2-diethyl-4-oxo-4-(pent-4-ynylamino)butanoic acid
CID 103206484
3-(hex-5-ynylcarbamoylamino)-3-methylbutanoic acid
CID 106216137
5-(hex-5-ynylcarbamoylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 106213953
2-cyano-N-hex-5-ynylacetamide
CID 104920077
(2R)-2-amino-N-hex-5-ynyl-3,3-dimethylbutanamide
CID 106213078
N-hex-5-ynyl-3-methylsulfanylpropanamide
CID 103757804
N-hex-5-ynyl-2-(propan-2-ylamino)acetamide
CID 106213054

Frequently Asked Questions

What is the IUPAC name of N-hex-5-ynyl-3,3-dimethylbutanamide?
The IUPAC name of N-hex-5-ynyl-3,3-dimethylbutanamide (CID 103758094) is N-hex-5-ynyl-3,3-dimethylbutanamide.
What is the SMILES notation for N-hex-5-ynyl-3,3-dimethylbutanamide?
The canonical SMILES for N-hex-5-ynyl-3,3-dimethylbutanamide is C#CCCCCNC(=O)CC(C)(C)C.
What is the InChIKey of N-hex-5-ynyl-3,3-dimethylbutanamide?
The InChIKey is NKZNMZBKCRDTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-5-6-7-8-9-13-11(14)10-12(2,3)4/h1H,6-10H2,2-4H3,(H,13,14).
What are the key properties of N-hex-5-ynyl-3,3-dimethylbutanamide?
N-hex-5-ynyl-3,3-dimethylbutanamide has a molecular weight of 195.31 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-ynyl-3,3-dimethylbutanamide is sourced from PubChem (CID 103758094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).