2-(methylamino)-N-pent-1-yn-3-ylacetamide

C8H14N2O — CID 106230235

IUPAC2-(methylamino)-N-pent-1-yn-3-ylacetamide
SMILESC#CC(CC)NC(=O)CNC
InChIInChI=1S/C8H14N2O/c1-4-7(5-2)10-8(11)6-9-3/h1,7,9H,5-6H2,2-3H3,(H,10,11)
InChIKeyCROMJILGTZYSBQ-UHFFFAOYSA-N
MW154.21 g/mol
LogP-0.27
Rot. Bonds4

About 2-(methylamino)-N-pent-1-yn-3-ylacetamide

2-(methylamino)-N-pent-1-yn-3-ylacetamide (PubChem CID 106230235) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-(methylamino)-N-pent-1-yn-3-ylacetamide.

Molecular Properties

Compound Name2-(methylamino)-N-pent-1-yn-3-ylacetamide
PubChem CID106230235
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2-(methylamino)-N-pent-1-yn-3-ylacetamide
SMILESC#CC(CC)NC(=O)CNC
InChIInChI=1S/C8H14N2O/c1-4-7(5-2)10-8(11)6-9-3/h1,7,9H,5-6H2,2-3H3,(H,10,11)
InChIKeyCROMJILGTZYSBQ-UHFFFAOYSA-N
XLogP-0.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[2-oxo-2-(pent-1-yn-3-ylamino)ethyl]acetamide
CID 106230441
3,3-dimethyl-N-pent-1-yn-3-ylbutanamide
CID 103578952
3-amino-N-pent-1-yn-3-ylbutanamide
CID 106230437
2-(4-hydroxyphenyl)-N-pent-1-yn-3-ylacetamide
CID 103579156
N-[(2S)-1-hydroxybutan-2-yl]-2-(methylamino)acetamide
CID 107222412
3-ethoxy-N-pent-1-yn-3-ylpropanamide
CID 103579230
2-[1-(methylamino)cyclohexyl]-N-pent-1-yn-3-ylacetamide
CID 106230414
3,3-dimethyl-5-oxo-5-(pent-1-yn-3-ylamino)pentanoic acid
CID 106223896
6-amino-4-methyl-N-pent-1-yn-3-ylhexanamide
CID 106230416
4-methoxy-3-methyl-N-pent-1-yn-3-ylbutanamide
CID 103578918
2,3,4,5,6-pentafluoro-N-pent-1-yn-3-ylbenzamide
CID 114160990
3-(4-aminophenyl)-N-pent-1-yn-3-ylbutanamide
CID 114161325

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-pent-1-yn-3-ylacetamide?
The IUPAC name of 2-(methylamino)-N-pent-1-yn-3-ylacetamide (CID 106230235) is 2-(methylamino)-N-pent-1-yn-3-ylacetamide.
What is the SMILES notation for 2-(methylamino)-N-pent-1-yn-3-ylacetamide?
The canonical SMILES for 2-(methylamino)-N-pent-1-yn-3-ylacetamide is C#CC(CC)NC(=O)CNC.
What is the InChIKey of 2-(methylamino)-N-pent-1-yn-3-ylacetamide?
The InChIKey is CROMJILGTZYSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-4-7(5-2)10-8(11)6-9-3/h1,7,9H,5-6H2,2-3H3,(H,10,11).
What are the key properties of 2-(methylamino)-N-pent-1-yn-3-ylacetamide?
2-(methylamino)-N-pent-1-yn-3-ylacetamide has a molecular weight of 154.21 g/mol, XLogP of -0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-pent-1-yn-3-ylacetamide is sourced from PubChem (CID 106230235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).