N-pentyl-2-(pent-1-yn-3-ylamino)propanamide

C13H24N2O — CID 103577887

IUPACN-pentyl-2-(pent-1-yn-3-ylamino)propanamide
SMILESC#CC(CC)NC(C)C(=O)NCCCCC
InChIInChI=1S/C13H24N2O/c1-5-8-9-10-14-13(16)11(4)15-12(6-2)7-3/h2,11-12,15H,5,7-10H2,1,3-4H3,(H,14,16)
InChIKeyNTTKJOSYKFOFMU-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.68
Rot. Bonds8

About N-pentyl-2-(pent-1-yn-3-ylamino)propanamide

N-pentyl-2-(pent-1-yn-3-ylamino)propanamide (PubChem CID 103577887) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-pentyl-2-(pent-1-yn-3-ylamino)propanamide.

Molecular Properties

Compound NameN-pentyl-2-(pent-1-yn-3-ylamino)propanamide
PubChem CID103577887
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-pentyl-2-(pent-1-yn-3-ylamino)propanamide
SMILESC#CC(CC)NC(C)C(=O)NCCCCC
InChIInChI=1S/C13H24N2O/c1-5-8-9-10-14-13(16)11(4)15-12(6-2)7-3/h2,11-12,15H,5,7-10H2,1,3-4H3,(H,14,16)
InChIKeyNTTKJOSYKFOFMU-UHFFFAOYSA-N
XLogP1.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

N-(methylcarbamoyl)-2-(pent-1-yn-3-ylamino)propanamide
CID 103577847
2-(octan-2-ylamino)-N-pentylpropanamide
CID 61476673
2-[[1-(butylamino)-1-oxopropan-2-yl]amino]-N-ethylpropanamide
CID 60722434
N-butyl-2-(heptan-2-ylamino)propanamide
CID 54950626
N-cyclohexyl-2-(pent-1-yn-3-ylamino)propanamide
CID 103577857
N-pentyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanamide
CID 61473930
2-[[1-(butylamino)-1-oxopropan-2-yl]amino]propanoic acid
CID 43467320
2-(pent-4-en-2-ylamino)-N-pentylpropanamide
CID 115632132
N-pent-1-yn-3-ylheptan-1-amine
CID 106224467
3-methyl-N-pentyl-2-sulfanylbutanamide
CID 107020320
2-methyl-6-[[1-oxo-1-(pentylamino)propan-2-yl]amino]heptanoic acid
CID 65289301
2-[[(1R)-1-cycloheptylethyl]amino]-N-pentylpropanamide
CID 81392391

Frequently Asked Questions

What is the IUPAC name of N-pentyl-2-(pent-1-yn-3-ylamino)propanamide?
The IUPAC name of N-pentyl-2-(pent-1-yn-3-ylamino)propanamide (CID 103577887) is N-pentyl-2-(pent-1-yn-3-ylamino)propanamide.
What is the SMILES notation for N-pentyl-2-(pent-1-yn-3-ylamino)propanamide?
The canonical SMILES for N-pentyl-2-(pent-1-yn-3-ylamino)propanamide is C#CC(CC)NC(C)C(=O)NCCCCC.
What is the InChIKey of N-pentyl-2-(pent-1-yn-3-ylamino)propanamide?
The InChIKey is NTTKJOSYKFOFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-5-8-9-10-14-13(16)11(4)15-12(6-2)7-3/h2,11-12,15H,5,7-10H2,1,3-4H3,(H,14,16).
What are the key properties of N-pentyl-2-(pent-1-yn-3-ylamino)propanamide?
N-pentyl-2-(pent-1-yn-3-ylamino)propanamide has a molecular weight of 224.35 g/mol, XLogP of 1.68, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-2-(pent-1-yn-3-ylamino)propanamide is sourced from PubChem (CID 103577887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).