2-[methyl(pent-4-ynyl)amino]acetamide

C8H14N2O — CID 115872776

IUPAC2-[methyl(pent-4-ynyl)amino]acetamide
SMILESC#CCCCN(C)CC(N)=O
InChIInChI=1S/C8H14N2O/c1-3-4-5-6-10(2)7-8(9)11/h1H,4-7H2,2H3,(H2,9,11)
InChIKeyLKZZCNRYNMSMEO-UHFFFAOYSA-N
MW154.21 g/mol
LogP-0.18
Rot. Bonds5

About 2-[methyl(pent-4-ynyl)amino]acetamide

2-[methyl(pent-4-ynyl)amino]acetamide (PubChem CID 115872776) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-[methyl(pent-4-ynyl)amino]acetamide.

Molecular Properties

Compound Name2-[methyl(pent-4-ynyl)amino]acetamide
PubChem CID115872776
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2-[methyl(pent-4-ynyl)amino]acetamide
SMILESC#CCCCN(C)CC(N)=O
InChIInChI=1S/C8H14N2O/c1-3-4-5-6-10(2)7-8(9)11/h1H,4-7H2,2H3,(H2,9,11)
InChIKeyLKZZCNRYNMSMEO-UHFFFAOYSA-N
XLogP-0.18
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
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

2-[butyl(methyl)amino]acetamide
CID 22371777
ethyl 3-[methyl(pent-4-ynyl)amino]propanoate
CID 115872974
2-[methyl(tridecyl)amino]acetamide
CID 175737609
2-[methyl(pent-4-ynyl)amino]ethanol
CID 115872742
2-[2-(dimethylamino)ethyl-methylamino]acetamide
CID 23154890
N-methyl-N-oct-7-ynyloct-7-yn-1-amine
CID 170134765
tetradec-13-ynamide
CID 19767571
N-methyl-N-(2-methylpropyl)pent-4-yn-1-amine
CID 115872924
3-[methyl(prop-2-ynyl)amino]propanamide
CID 131086259
2-[(3-cyano-3-methylbutyl)-methylamino]acetamide
CID 65251652
2-[methyl(prop-2-enyl)amino]acetamide
CID 55207696
2-[2-(tert-butylamino)ethyl-methylamino]acetamide
CID 107446449

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pent-4-ynyl)amino]acetamide?
The IUPAC name of 2-[methyl(pent-4-ynyl)amino]acetamide (CID 115872776) is 2-[methyl(pent-4-ynyl)amino]acetamide.
What is the SMILES notation for 2-[methyl(pent-4-ynyl)amino]acetamide?
The canonical SMILES for 2-[methyl(pent-4-ynyl)amino]acetamide is C#CCCCN(C)CC(N)=O.
What is the InChIKey of 2-[methyl(pent-4-ynyl)amino]acetamide?
The InChIKey is LKZZCNRYNMSMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-3-4-5-6-10(2)7-8(9)11/h1H,4-7H2,2H3,(H2,9,11).
What are the key properties of 2-[methyl(pent-4-ynyl)amino]acetamide?
2-[methyl(pent-4-ynyl)amino]acetamide has a molecular weight of 154.21 g/mol, XLogP of -0.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(pent-4-ynyl)amino]acetamide is sourced from PubChem (CID 115872776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).