2-(propylamino)acetamide

C5H12N2O — CID 15839438

IUPAC2-(propylamino)acetamide
SMILESCCCNCC(N)=O
InChIInChI=1S/C5H12N2O/c1-2-3-7-4-5(6)8/h7H,2-4H2,1H3,(H2,6,8)
InChIKeyLKZRYXDGZQOPNA-UHFFFAOYSA-N
MW116.16 g/mol
LogP-0.53
Rot. Bonds4

About 2-(propylamino)acetamide

2-(propylamino)acetamide (PubChem CID 15839438) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is 2-(propylamino)acetamide.

Molecular Properties

Compound Name2-(propylamino)acetamide
PubChem CID15839438
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Name2-(propylamino)acetamide
SMILESCCCNCC(N)=O
InChIInChI=1S/C5H12N2O/c1-2-3-7-4-5(6)8/h7H,2-4H2,1H3,(H2,6,8)
InChIKeyLKZRYXDGZQOPNA-UHFFFAOYSA-N
XLogP-0.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(propylamino)butanamide
CID 21468794
N-methyl-2-(propylamino)acetamide
CID 28586328
2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]acetamide
CID 57107156
2-(3-aminopropylamino)acetamide
CID 59908103
2-(3-methylbut-3-enylamino)acetamide
CID 114471988
2-[2-(propylamino)ethoxy]acetamide
CID 62336867
N'-hydroxy-2-(propylamino)ethanimidamide
CID 60711995
N-[(2-methylpropan-2-yl)oxy]-2-(propylamino)acetamide
CID 82723789
2-(5-methylhexylamino)acetamide
CID 115325450
N,N-diethyl-2-(propylamino)acetamide
CID 15103931
2-(2-methylidenebutylamino)acetamide
CID 66047349
(E)-1-(propylamino)pent-3-en-2-one
CID 130176431

Frequently Asked Questions

What is the IUPAC name of 2-(propylamino)acetamide?
The IUPAC name of 2-(propylamino)acetamide (CID 15839438) is 2-(propylamino)acetamide.
What is the SMILES notation for 2-(propylamino)acetamide?
The canonical SMILES for 2-(propylamino)acetamide is CCCNCC(N)=O.
What is the InChIKey of 2-(propylamino)acetamide?
The InChIKey is LKZRYXDGZQOPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O/c1-2-3-7-4-5(6)8/h7H,2-4H2,1H3,(H2,6,8).
What are the key properties of 2-(propylamino)acetamide?
2-(propylamino)acetamide has a molecular weight of 116.16 g/mol, XLogP of -0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylamino)acetamide is sourced from PubChem (CID 15839438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).