3-azido-2-[2-(diethylamino)ethylamino]propanamide

C9H20N6O — CID 66429641

IUPAC3-azido-2-[2-(diethylamino)ethylamino]propanamide
SMILESCCN(CC)CCNC(CN=[N+]=[N-])C(N)=O
InChIInChI=1S/C9H20N6O/c1-3-15(4-2)6-5-12-8(9(10)16)7-13-14-11/h8,12H,3-7H2,1-2H3,(H2,10,16)
InChIKeyWKRMMTIGVMFTJQ-UHFFFAOYSA-N
MW228.30 g/mol
LogP0.08
Rot. Bonds9

About 3-azido-2-[2-(diethylamino)ethylamino]propanamide

3-azido-2-[2-(diethylamino)ethylamino]propanamide (PubChem CID 66429641) has the molecular formula C9H20N6O and a molecular weight of 228.30 g/mol. Its IUPAC name is 3-azido-2-[2-(diethylamino)ethylamino]propanamide.

Molecular Properties

Compound Name3-azido-2-[2-(diethylamino)ethylamino]propanamide
PubChem CID66429641
Molecular FormulaC9H20N6O
Molecular Weight228.30 g/mol
Exact Mass228.17
IUPAC Name3-azido-2-[2-(diethylamino)ethylamino]propanamide
SMILESCCN(CC)CCNC(CN=[N+]=[N-])C(N)=O
InChIInChI=1S/C9H20N6O/c1-3-15(4-2)6-5-12-8(9(10)16)7-13-14-11/h8,12H,3-7H2,1-2H3,(H2,10,16)
InChIKeyWKRMMTIGVMFTJQ-UHFFFAOYSA-N
XLogP0.08
TPSA107.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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

3-azido-2-(2-azidoethylamino)propanamide
CID 66429441
4-(diethylamino)-2-(propylamino)butanamide
CID 63028178
3-[3-(diethylamino)propyl-ethylamino]-2-(propylamino)propanamide
CID 102996641
ethyl 2-[2-(diethylamino)ethylamino]pentanoate
CID 54890434
2-(2-azidoethylamino)-4,4-dimethylpentanamide
CID 66190065
3-azido-2-(4-methylanilino)propanamide
CID 66429219
5-azido-2-(ethylamino)pentanamide
CID 166997147
(2S)-2-[2-(dimethylamino)ethylamino]pentanamide;dihydrochloride
CID 87369953
4-(dipropylamino)-2-(propylamino)butanamide
CID 63028004
2-(3-azidopropylamino)-4-methylsulfanylbutanamide
CID 66165986
3-[2-ethoxyethyl(ethyl)amino]-2-(propylamino)propanamide
CID 63690176
2-(2-azidoethylamino)pentanoic acid
CID 66191397

Frequently Asked Questions

What is the IUPAC name of 3-azido-2-[2-(diethylamino)ethylamino]propanamide?
The IUPAC name of 3-azido-2-[2-(diethylamino)ethylamino]propanamide (CID 66429641) is 3-azido-2-[2-(diethylamino)ethylamino]propanamide.
What is the SMILES notation for 3-azido-2-[2-(diethylamino)ethylamino]propanamide?
The canonical SMILES for 3-azido-2-[2-(diethylamino)ethylamino]propanamide is CCN(CC)CCNC(CN=[N+]=[N-])C(N)=O.
What is the InChIKey of 3-azido-2-[2-(diethylamino)ethylamino]propanamide?
The InChIKey is WKRMMTIGVMFTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N6O/c1-3-15(4-2)6-5-12-8(9(10)16)7-13-14-11/h8,12H,3-7H2,1-2H3,(H2,10,16).
What are the key properties of 3-azido-2-[2-(diethylamino)ethylamino]propanamide?
3-azido-2-[2-(diethylamino)ethylamino]propanamide has a molecular weight of 228.30 g/mol, XLogP of 0.08, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-2-[2-(diethylamino)ethylamino]propanamide is sourced from PubChem (CID 66429641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).