N-(4-azidobutyl)-3-methylbutanamide

C9H18N4O — CID 106386682

IUPACN-(4-azidobutyl)-3-methylbutanamide
SMILESCC(C)CC(=O)NCCCCN=[N+]=[N-]
InChIInChI=1S/C9H18N4O/c1-8(2)7-9(14)11-5-3-4-6-12-13-10/h8H,3-7H2,1-2H3,(H,11,14)
InChIKeyLHUOJBSDLCWDBF-UHFFFAOYSA-N
MW198.27 g/mol
LogP2.24
Rot. Bonds7

About N-(4-azidobutyl)-3-methylbutanamide

N-(4-azidobutyl)-3-methylbutanamide (PubChem CID 106386682) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is N-(4-azidobutyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(4-azidobutyl)-3-methylbutanamide
PubChem CID106386682
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC NameN-(4-azidobutyl)-3-methylbutanamide
SMILESCC(C)CC(=O)NCCCCN=[N+]=[N-]
InChIInChI=1S/C9H18N4O/c1-8(2)7-9(14)11-5-3-4-6-12-13-10/h8H,3-7H2,1-2H3,(H,11,14)
InChIKeyLHUOJBSDLCWDBF-UHFFFAOYSA-N
XLogP2.24
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.24
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

3-methyl-N-[6-(3-methylbutanoylamino)hexyl]butanamide
CID 3609868
1-(4-azidobutyl)-3-propan-2-ylurea
CID 106386969
N-(3-azidopropyl)-3,5,5-trimethylhexanamide
CID 61344869
3-azido-N-[4-(3-azidobutanoylamino)butyl]butanamide
CID 15725826
N-(4-azidobutyl)hexanamide
CID 106386708
N-(3-azidopropyl)-2-methylpropanamide
CID 61343977
N-(4-azidobutyl)heptanamide
CID 106386394
N-(4-azidobutyl)-2-methylpentanamide
CID 106386395
5-(6-azidohexylamino)-5-oxopentanoic acid
CID 58992347
N-(4-chloropentyl)-3-methylbutanamide
CID 106129611
N-(4-azidobutyl)pent-4-ynamide
CID 106386752
N-[5-[(2-azidoacetyl)amino]pentyl]-2-methylbutanamide
CID 153280143

Frequently Asked Questions

What is the IUPAC name of N-(4-azidobutyl)-3-methylbutanamide?
The IUPAC name of N-(4-azidobutyl)-3-methylbutanamide (CID 106386682) is N-(4-azidobutyl)-3-methylbutanamide.
What is the SMILES notation for N-(4-azidobutyl)-3-methylbutanamide?
The canonical SMILES for N-(4-azidobutyl)-3-methylbutanamide is CC(C)CC(=O)NCCCCN=[N+]=[N-].
What is the InChIKey of N-(4-azidobutyl)-3-methylbutanamide?
The InChIKey is LHUOJBSDLCWDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-8(2)7-9(14)11-5-3-4-6-12-13-10/h8H,3-7H2,1-2H3,(H,11,14).
What are the key properties of N-(4-azidobutyl)-3-methylbutanamide?
N-(4-azidobutyl)-3-methylbutanamide has a molecular weight of 198.27 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-azidobutyl)-3-methylbutanamide is sourced from PubChem (CID 106386682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).