N'-[3-(3-aminopropylamino)propyl]oxamide

C8H18N4O2 — CID 71347825

IUPACN'-[3-(3-aminopropylamino)propyl]oxamide
SMILESNCCCNCCCNC(=O)C(N)=O
InChIInChI=1S/C8H18N4O2/c9-3-1-4-11-5-2-6-12-8(14)7(10)13/h11H,1-6,9H2,(H2,10,13)(H,12,14)
InChIKeyBKQLICJBPJJIAH-UHFFFAOYSA-N
MW202.26 g/mol
LogP-2.08
Rot. Bonds7

About N'-[3-(3-aminopropylamino)propyl]oxamide

N'-[3-(3-aminopropylamino)propyl]oxamide (PubChem CID 71347825) has the molecular formula C8H18N4O2 and a molecular weight of 202.26 g/mol. Its IUPAC name is N'-[3-(3-aminopropylamino)propyl]oxamide.

Molecular Properties

Compound NameN'-[3-(3-aminopropylamino)propyl]oxamide
PubChem CID71347825
Molecular FormulaC8H18N4O2
Molecular Weight202.26 g/mol
Exact Mass202.14
IUPAC NameN'-[3-(3-aminopropylamino)propyl]oxamide
SMILESNCCCNCCCNC(=O)C(N)=O
InChIInChI=1S/C8H18N4O2/c9-3-1-4-11-5-2-6-12-8(14)7(10)13/h11H,1-6,9H2,(H2,10,13)(H,12,14)
InChIKeyBKQLICJBPJJIAH-UHFFFAOYSA-N
XLogP-2.08
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 5-2.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(3-aminopropylamino)propylamino]propanamide
CID 87496464
N'-[3-[3-[3-[3-[3-[3-(3-aminopropylamino)propylamino]propylamino]propylamino]propylamino]propylamino]propyl]propane-1,3-diamine
CID 22916506
N-[3-[3-(3-aminopropylamino)propylamino]propyl]-2-methylpropanamide
CID 154594320
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-methylpropanamide
CID 154982765
2,6-diamino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]hexanamide
CID 23400695
(2S)-2-amino-N'-[3-(3-aminopropylamino)propyl]butanediamide
CID 101363274
N-[2-(4-aminobutylamino)ethyl]acetamide;N-[3-[4-(2-aminoethylamino)butylamino]propyl]acetamide;N-[2-(2-aminoethylamino)ethyl]acetamide;N-[3-(2-aminoethylamino)propyl]acetamide;N-[3-[4-[3-(2-aminoethylamino)propylamino]butylamino]propyl]acetamide;N-[2-[3-(2-aminoethylamino)propylamino]ethyl]acetamide;N-[3-[3-(2-aminoethylamino)propylamino]propyl]acetamide;N-[2-(3-aminopropylamino)ethyl]acetamide;N-[2-[2-(3-aminopropylamino)ethylamino]ethyl]acetamide
CID 159062074
N-[2-(4-aminobutylamino)ethyl]acetamide;N-[3-[4-(2-aminoethylamino)butylamino]propyl]acetamide;N-[2-(2-aminoethylamino)ethyl]acetamide;N-[3-(2-aminoethylamino)propyl]acetamide;N-[3-[4-[3-(2-aminoethylamino)propylamino]butylamino]propyl]acetamide;N-[2-[3-(2-aminoethylamino)propylamino]ethyl]acetamide;N-[3-[3-(2-aminoethylamino)propylamino]propyl]acetamide;N-[2-[4-(3-aminopropylamino)butylamino]ethyl]acetamide;N-[2-(3-aminopropylamino)ethyl]acetamide;N-[2-[2-(3-aminopropylamino)ethylamino]ethyl]acetamide
CID 159263128
N-[4-(3-aminopropylamino)butyl]acetamide;hydron;dichloride
CID 74764694
2-(3-aminopropylamino)acetamide
CID 59908103
(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-hydroxypropanamide
CID 10924229
N-(3-aminopropyl)-2-methylprop-2-enamide
CID 158225145

Frequently Asked Questions

What is the IUPAC name of N'-[3-(3-aminopropylamino)propyl]oxamide?
The IUPAC name of N'-[3-(3-aminopropylamino)propyl]oxamide (CID 71347825) is N'-[3-(3-aminopropylamino)propyl]oxamide.
What is the SMILES notation for N'-[3-(3-aminopropylamino)propyl]oxamide?
The canonical SMILES for N'-[3-(3-aminopropylamino)propyl]oxamide is NCCCNCCCNC(=O)C(N)=O.
What is the InChIKey of N'-[3-(3-aminopropylamino)propyl]oxamide?
The InChIKey is BKQLICJBPJJIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O2/c9-3-1-4-11-5-2-6-12-8(14)7(10)13/h11H,1-6,9H2,(H2,10,13)(H,12,14).
What are the key properties of N'-[3-(3-aminopropylamino)propyl]oxamide?
N'-[3-(3-aminopropylamino)propyl]oxamide has a molecular weight of 202.26 g/mol, XLogP of -2.08, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(3-aminopropylamino)propyl]oxamide is sourced from PubChem (CID 71347825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).