2,2,4,4-tetramethyl-N-propylhex-5-ynamide

C13H23NO — CID 167115818

IUPAC2,2,4,4-tetramethyl-N-propylhex-5-ynamide
SMILESC#CC(C)(C)CC(C)(C)C(=O)NCCC
InChIInChI=1S/C13H23NO/c1-7-9-14-11(15)13(5,6)10-12(3,4)8-2/h2H,7,9-10H2,1,3-6H3,(H,14,15)
InChIKeyLSQJRMZJQDHKKC-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.59
Rot. Bonds5

About 2,2,4,4-tetramethyl-N-propylhex-5-ynamide

2,2,4,4-tetramethyl-N-propylhex-5-ynamide (PubChem CID 167115818) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2,2,4,4-tetramethyl-N-propylhex-5-ynamide.

Molecular Properties

Compound Name2,2,4,4-tetramethyl-N-propylhex-5-ynamide
PubChem CID167115818
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2,2,4,4-tetramethyl-N-propylhex-5-ynamide
SMILESC#CC(C)(C)CC(C)(C)C(=O)NCCC
InChIInChI=1S/C13H23NO/c1-7-9-14-11(15)13(5,6)10-12(3,4)8-2/h2H,7,9-10H2,1,3-6H3,(H,14,15)
InChIKeyLSQJRMZJQDHKKC-UHFFFAOYSA-N
XLogP2.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2,4,4-tetramethyl-N-propylpentanamide
CID 144742473
3-hydroxy-2,2-dimethyl-N-propylpropanamide
CID 58461027
2,2,4,4-tetramethylhex-5-ynoyl 2,2,4,4-tetramethylhex-5-ynoate
CID 88906640
2,2-dimethyl-3-propoxy-N-propylpropanamide
CID 164771846
2-methyl-2-(methylamino)-N-propylpropanamide
CID 21365766
2,2,4,4-tetramethyl-N-octylhexanamide
CID 178052018
N-propyl-2,2-bis(trifluoromethyl)butanamide
CID 71671965
2-amino-3,3,3-trifluoro-2-methyl-N-propylpropanamide
CID 79789702
N-(2-hydroxyethyl)-2,2,4,4-tetramethyl-5-oxohexanamide
CID 166130930
3-hydroxy-2,2-dimethyl-N-pentylpropanamide
CID 171795881
butyl-dimethyl-[3-(2,2,4,4-tetramethylpentanoylamino)propyl]azanium
CID 91040759
2,2-dimethyl-N-propan-2-yl-N'-propylpropanediamide
CID 108956970

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetramethyl-N-propylhex-5-ynamide?
The IUPAC name of 2,2,4,4-tetramethyl-N-propylhex-5-ynamide (CID 167115818) is 2,2,4,4-tetramethyl-N-propylhex-5-ynamide.
What is the SMILES notation for 2,2,4,4-tetramethyl-N-propylhex-5-ynamide?
The canonical SMILES for 2,2,4,4-tetramethyl-N-propylhex-5-ynamide is C#CC(C)(C)CC(C)(C)C(=O)NCCC.
What is the InChIKey of 2,2,4,4-tetramethyl-N-propylhex-5-ynamide?
The InChIKey is LSQJRMZJQDHKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-7-9-14-11(15)13(5,6)10-12(3,4)8-2/h2H,7,9-10H2,1,3-6H3,(H,14,15).
What are the key properties of 2,2,4,4-tetramethyl-N-propylhex-5-ynamide?
2,2,4,4-tetramethyl-N-propylhex-5-ynamide has a molecular weight of 209.33 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetramethyl-N-propylhex-5-ynamide is sourced from PubChem (CID 167115818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).