2-[2-methylpropyl(prop-2-ynyl)amino]acetamide

C9H16N2O — CID 60969370

IUPAC2-[2-methylpropyl(prop-2-ynyl)amino]acetamide
SMILESC#CCN(CC(N)=O)CC(C)C
InChIInChI=1S/C9H16N2O/c1-4-5-11(6-8(2)3)7-9(10)12/h1,8H,5-7H2,2-3H3,(H2,10,12)
InChIKeyQNFFQQNKPJAZKR-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.06
Rot. Bonds5

About 2-[2-methylpropyl(prop-2-ynyl)amino]acetamide

2-[2-methylpropyl(prop-2-ynyl)amino]acetamide (PubChem CID 60969370) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-[2-methylpropyl(prop-2-ynyl)amino]acetamide.

Molecular Properties

Compound Name2-[2-methylpropyl(prop-2-ynyl)amino]acetamide
PubChem CID60969370
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-[2-methylpropyl(prop-2-ynyl)amino]acetamide
SMILESC#CCN(CC(N)=O)CC(C)C
InChIInChI=1S/C9H16N2O/c1-4-5-11(6-8(2)3)7-9(10)12/h1,8H,5-7H2,2-3H3,(H2,10,12)
InChIKeyQNFFQQNKPJAZKR-UHFFFAOYSA-N
XLogP0.06
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[3-cyanopropyl(2-methylpropyl)amino]acetamide
CID 60969371
2-[(4-amino-3,3-dimethylbutyl)-(2-methylpropyl)amino]acetamide
CID 65246940
2-[but-3-ynyl(2-methylpropyl)amino]acetic acid
CID 63065219
2-[[2-(2-chlorophenyl)-2-oxoethyl]-(2-methylpropyl)amino]acetamide
CID 62036439
2-[[1-(cyanomethyl)cyclopropyl]methyl-(2-methylpropyl)amino]acetamide
CID 65493629
2-[(2-carbamothioyl-3,3,3-trifluoropropyl)-(2-methylpropyl)amino]acetamide
CID 103368655
2-[(4-cyanophenyl)methyl-(2-methylpropyl)amino]acetamide
CID 54942559
2-[[1-(2-aminoethyl)cyclopropyl]methyl-(2-methylpropyl)amino]acetamide
CID 65480537
hydrazinyl 3-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]propanoate
CID 66338779
2-[2-methylpropyl(piperidin-4-ylmethyl)amino]acetamide;hydrochloride
CID 119930409
2-[[2-(2-methylphenyl)-2-oxoethyl]-(2-methylpropyl)amino]acetamide
CID 62035855
2-[(5-aminothiadiazol-4-yl)methyl-(2-methylpropyl)amino]acetamide
CID 62182662

Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl(prop-2-ynyl)amino]acetamide?
The IUPAC name of 2-[2-methylpropyl(prop-2-ynyl)amino]acetamide (CID 60969370) is 2-[2-methylpropyl(prop-2-ynyl)amino]acetamide.
What is the SMILES notation for 2-[2-methylpropyl(prop-2-ynyl)amino]acetamide?
The canonical SMILES for 2-[2-methylpropyl(prop-2-ynyl)amino]acetamide is C#CCN(CC(N)=O)CC(C)C.
What is the InChIKey of 2-[2-methylpropyl(prop-2-ynyl)amino]acetamide?
The InChIKey is QNFFQQNKPJAZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-4-5-11(6-8(2)3)7-9(10)12/h1,8H,5-7H2,2-3H3,(H2,10,12).
What are the key properties of 2-[2-methylpropyl(prop-2-ynyl)amino]acetamide?
2-[2-methylpropyl(prop-2-ynyl)amino]acetamide has a molecular weight of 168.24 g/mol, XLogP of 0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl(prop-2-ynyl)amino]acetamide is sourced from PubChem (CID 60969370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).