N-(2-azidoethyl)-2-methylbutanamide

C7H14N4O — CID 61343601

IUPACN-(2-azidoethyl)-2-methylbutanamide
SMILESCCC(C)C(=O)NCCN=[N+]=[N-]
InChIInChI=1S/C7H14N4O/c1-3-6(2)7(12)9-4-5-10-11-8/h6H,3-5H2,1-2H3,(H,9,12)
InChIKeyPJPKWROEXJIXER-UHFFFAOYSA-N
MW170.22 g/mol
LogP1.46
Rot. Bonds5

About N-(2-azidoethyl)-2-methylbutanamide

N-(2-azidoethyl)-2-methylbutanamide (PubChem CID 61343601) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is N-(2-azidoethyl)-2-methylbutanamide.

Molecular Properties

Compound NameN-(2-azidoethyl)-2-methylbutanamide
PubChem CID61343601
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC NameN-(2-azidoethyl)-2-methylbutanamide
SMILESCCC(C)C(=O)NCCN=[N+]=[N-]
InChIInChI=1S/C7H14N4O/c1-3-6(2)7(12)9-4-5-10-11-8/h6H,3-5H2,1-2H3,(H,9,12)
InChIKeyPJPKWROEXJIXER-UHFFFAOYSA-N
XLogP1.46
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N-[5-[(2-azidoacetyl)amino]pentyl]-2-methylbutanamide
CID 153280143
N-(4-azidobutyl)-2-methylpentanamide
CID 106386395
N-(3-azidopropyl)-2-methylpropanamide
CID 61343977
N-(2-azidoethyl)-2-propan-2-yloxyacetamide
CID 112603824
2-methyl-N-[2-(propylamino)ethyl]butanamide
CID 62658824
2-azido-N-propylpropanamide
CID 61373269
2-(2-azidoethylamino)pentanoic acid
CID 66191397
N-(2-azidoethyl)-2-methylpent-2-enamide
CID 61342491
ethane;N-ethyl-2-methylbutanamide
CID 145471862
N-(4-azidobutyl)-2-ethylhexanamide
CID 106386552
2-methyl-N-[2-(propan-2-ylamino)ethyl]butanamide
CID 62664546
N-[3-(diaminomethylideneamino)propyl]-2-methylbutanamide
CID 59360329

Frequently Asked Questions

What is the IUPAC name of N-(2-azidoethyl)-2-methylbutanamide?
The IUPAC name of N-(2-azidoethyl)-2-methylbutanamide (CID 61343601) is N-(2-azidoethyl)-2-methylbutanamide.
What is the SMILES notation for N-(2-azidoethyl)-2-methylbutanamide?
The canonical SMILES for N-(2-azidoethyl)-2-methylbutanamide is CCC(C)C(=O)NCCN=[N+]=[N-].
What is the InChIKey of N-(2-azidoethyl)-2-methylbutanamide?
The InChIKey is PJPKWROEXJIXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O/c1-3-6(2)7(12)9-4-5-10-11-8/h6H,3-5H2,1-2H3,(H,9,12).
What are the key properties of N-(2-azidoethyl)-2-methylbutanamide?
N-(2-azidoethyl)-2-methylbutanamide has a molecular weight of 170.22 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azidoethyl)-2-methylbutanamide is sourced from PubChem (CID 61343601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).