N-(2-aminoethyl)-2-(prop-2-ynylamino)acetamide

C7H13N3O — CID 79287786

IUPACN-(2-aminoethyl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)NCCN
InChIInChI=1S/C7H13N3O/c1-2-4-9-6-7(11)10-5-3-8/h1,9H,3-6,8H2,(H,10,11)
InChIKeyXDPNDHSVSWUJTB-UHFFFAOYSA-N
MW155.20 g/mol
LogP-1.72
Rot. Bonds5

About N-(2-aminoethyl)-2-(prop-2-ynylamino)acetamide

N-(2-aminoethyl)-2-(prop-2-ynylamino)acetamide (PubChem CID 79287786) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(prop-2-ynylamino)acetamide
PubChem CID79287786
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC NameN-(2-aminoethyl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)NCCN
InChIInChI=1S/C7H13N3O/c1-2-4-9-6-7(11)10-5-3-8/h1,9H,3-6,8H2,(H,10,11)
InChIKeyXDPNDHSVSWUJTB-UHFFFAOYSA-N
XLogP-1.72
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-1.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(2-acetamidoethyl)-2-(prop-2-ynylamino)acetamide
CID 112722327
2-methyl-3-[[2-(prop-2-ynylamino)acetyl]amino]propanoic acid
CID 79272524
N-(2-ethoxyethyl)-2-(prop-2-ynylamino)acetamide
CID 79286728
N-[2-(methylamino)-2-oxoethyl]-2-(prop-2-ynylamino)acetamide
CID 78912839
N-[2-(4-chlorophenyl)ethyl]-2-(prop-2-ynylamino)acetamide
CID 71627764
N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(prop-2-ynylamino)acetamide
CID 79271047
N-(2-aminoethyl)pent-4-ynamide
CID 103840698
N-(3-propan-2-yloxypropyl)-2-(prop-2-ynylamino)acetamide
CID 112722354
N-cyclopropyl-3-[[2-(prop-2-ynylamino)acetyl]amino]propanamide
CID 79401221
N-[4-(2-methoxyethoxy)butyl]-2-(prop-2-ynylamino)acetamide
CID 113463825
N-[2-(3,5-difluorophenyl)ethyl]-2-(prop-2-ynylamino)acetamide
CID 79271793
N-(2,2-dimethylbutyl)-2-(prop-2-ynylamino)acetamide
CID 103461480

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-(2-aminoethyl)-2-(prop-2-ynylamino)acetamide (CID 79287786) is N-(2-aminoethyl)-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-2-(prop-2-ynylamino)acetamide?
The InChIKey is XDPNDHSVSWUJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-2-4-9-6-7(11)10-5-3-8/h1,9H,3-6,8H2,(H,10,11).
What are the key properties of N-(2-aminoethyl)-2-(prop-2-ynylamino)acetamide?
N-(2-aminoethyl)-2-(prop-2-ynylamino)acetamide has a molecular weight of 155.20 g/mol, XLogP of -1.72, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 79287786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).