2-(3-aminopropylamino)acetamide

C5H13N3O — CID 59908103

IUPAC2-(3-aminopropylamino)acetamide
SMILESNCCCNCC(N)=O
InChIInChI=1S/C5H13N3O/c6-2-1-3-8-4-5(7)9/h8H,1-4,6H2,(H2,7,9)
InChIKeyYKSRKPXXUVMVLM-UHFFFAOYSA-N
MW131.18 g/mol
LogP-1.59
Rot. Bonds5

About 2-(3-aminopropylamino)acetamide

2-(3-aminopropylamino)acetamide (PubChem CID 59908103) has the molecular formula C5H13N3O and a molecular weight of 131.18 g/mol. Its IUPAC name is 2-(3-aminopropylamino)acetamide.

Molecular Properties

Compound Name2-(3-aminopropylamino)acetamide
PubChem CID59908103
Molecular FormulaC5H13N3O
Molecular Weight131.18 g/mol
Exact Mass131.11
IUPAC Name2-(3-aminopropylamino)acetamide
SMILESNCCCNCC(N)=O
InChIInChI=1S/C5H13N3O/c6-2-1-3-8-4-5(7)9/h8H,1-4,6H2,(H2,7,9)
InChIKeyYKSRKPXXUVMVLM-UHFFFAOYSA-N
XLogP-1.59
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-1.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]acetamide
CID 57107156
3-[3-(3-aminopropylamino)propylamino]propanamide
CID 87496464
2-(propylamino)acetamide
CID 15839438
2-(5-methylhexylamino)acetamide
CID 115325450
2-(3-aminopropylamino)ethyl carbamate
CID 83209629
2-(3-aminopropylamino)-N-cyclopropylacetamide
CID 62274184
N'-[3-(3-aminopropylamino)propyl]oxamide
CID 71347825
4-(3-aminopropylamino)butyl carbamate
CID 175431367
acetic acid;N'-(3-aminopropyl)butane-1,4-diamine
CID 173249566
N,N'-bis(3-aminopropyl)butane-1,4-diamine;butanedioic acid
CID 174466716
N'-[3-[3-[3-[3-[3-[3-(3-aminopropylamino)propylamino]propylamino]propylamino]propylamino]propylamino]propyl]propane-1,3-diamine
CID 22916506
2-(3-aminopropylamino)-N-pentan-3-ylacetamide
CID 62273335

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropylamino)acetamide?
The IUPAC name of 2-(3-aminopropylamino)acetamide (CID 59908103) is 2-(3-aminopropylamino)acetamide.
What is the SMILES notation for 2-(3-aminopropylamino)acetamide?
The canonical SMILES for 2-(3-aminopropylamino)acetamide is NCCCNCC(N)=O.
What is the InChIKey of 2-(3-aminopropylamino)acetamide?
The InChIKey is YKSRKPXXUVMVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O/c6-2-1-3-8-4-5(7)9/h8H,1-4,6H2,(H2,7,9).
What are the key properties of 2-(3-aminopropylamino)acetamide?
2-(3-aminopropylamino)acetamide has a molecular weight of 131.18 g/mol, XLogP of -1.59, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropylamino)acetamide is sourced from PubChem (CID 59908103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).