3-azido-2-(2-azidoethylamino)propanamide

C5H10N8O — CID 66429441

IUPAC3-azido-2-(2-azidoethylamino)propanamide
SMILES[N-]=[N+]=NCCNC(CN=[N+]=[N-])C(N)=O
InChIInChI=1S/C5H10N8O/c6-5(14)4(3-11-13-8)9-1-2-10-12-7/h4,9H,1-3H2,(H2,6,14)
InChIKeyVKCSCJQGAYYBLY-UHFFFAOYSA-N
MW198.19 g/mol
LogP0.05
Rot. Bonds7

About 3-azido-2-(2-azidoethylamino)propanamide

3-azido-2-(2-azidoethylamino)propanamide (PubChem CID 66429441) has the molecular formula C5H10N8O and a molecular weight of 198.19 g/mol. Its IUPAC name is 3-azido-2-(2-azidoethylamino)propanamide.

Molecular Properties

Compound Name3-azido-2-(2-azidoethylamino)propanamide
PubChem CID66429441
Molecular FormulaC5H10N8O
Molecular Weight198.19 g/mol
Exact Mass198.10
IUPAC Name3-azido-2-(2-azidoethylamino)propanamide
SMILES[N-]=[N+]=NCCNC(CN=[N+]=[N-])C(N)=O
InChIInChI=1S/C5H10N8O/c6-5(14)4(3-11-13-8)9-1-2-10-12-7/h4,9H,1-3H2,(H2,6,14)
InChIKeyVKCSCJQGAYYBLY-UHFFFAOYSA-N
XLogP0.05
TPSA152.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-(2-azidoethylamino)-4,4-dimethylpentanamide
CID 66190065
3-azido-2-[2-(diethylamino)ethylamino]propanamide
CID 66429641
2-(2-azidoethylamino)pentanoic acid
CID 66191397
2-(3-azidopropylamino)-4-methylsulfanylbutanamide
CID 66165986
methyl 2-(2-azidoethylamino)-4,4-dimethylpentanoate
CID 66191015
3-azido-2-(4-methylanilino)propanamide
CID 66429219
5-azido-2-(ethylamino)pentanamide
CID 166997147
3-azido-2-(4-bromoanilino)propanamide
CID 66426453
2-(2-azidoethylamino)-2-(4-methylcyclohexyl)acetamide
CID 66190841
2-(2-azidoethylamino)octanoic acid
CID 66190006
(2R)-3-azido-2-methylpropanoic acid
CID 13116883
methyl 2-(2-azidoethylamino)-3-phenylpropanoate
CID 66190227

Frequently Asked Questions

What is the IUPAC name of 3-azido-2-(2-azidoethylamino)propanamide?
The IUPAC name of 3-azido-2-(2-azidoethylamino)propanamide (CID 66429441) is 3-azido-2-(2-azidoethylamino)propanamide.
What is the SMILES notation for 3-azido-2-(2-azidoethylamino)propanamide?
The canonical SMILES for 3-azido-2-(2-azidoethylamino)propanamide is [N-]=[N+]=NCCNC(CN=[N+]=[N-])C(N)=O.
What is the InChIKey of 3-azido-2-(2-azidoethylamino)propanamide?
The InChIKey is VKCSCJQGAYYBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N8O/c6-5(14)4(3-11-13-8)9-1-2-10-12-7/h4,9H,1-3H2,(H2,6,14).
What are the key properties of 3-azido-2-(2-azidoethylamino)propanamide?
3-azido-2-(2-azidoethylamino)propanamide has a molecular weight of 198.19 g/mol, XLogP of 0.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-2-(2-azidoethylamino)propanamide is sourced from PubChem (CID 66429441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).