N-(4-aminobutyl)-2-azidoacetamide

C6H13N5O — CID 137350213

IUPACN-(4-aminobutyl)-2-azidoacetamide
SMILES[N-]=[N+]=NCC(=O)NCCCCN
InChIInChI=1S/C6H13N5O/c7-3-1-2-4-9-6(12)5-10-11-8/h1-5,7H2,(H,9,12)
InChIKeySISZTIABCFMEIA-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.15
Rot. Bonds6

About N-(4-aminobutyl)-2-azidoacetamide

N-(4-aminobutyl)-2-azidoacetamide (PubChem CID 137350213) has the molecular formula C6H13N5O and a molecular weight of 171.20 g/mol. Its IUPAC name is N-(4-aminobutyl)-2-azidoacetamide.

Molecular Properties

Compound NameN-(4-aminobutyl)-2-azidoacetamide
PubChem CID137350213
Molecular FormulaC6H13N5O
Molecular Weight171.20 g/mol
Exact Mass171.11
IUPAC NameN-(4-aminobutyl)-2-azidoacetamide
SMILES[N-]=[N+]=NCC(=O)NCCCCN
InChIInChI=1S/C6H13N5O/c7-3-1-2-4-9-6(12)5-10-11-8/h1-5,7H2,(H,9,12)
InChIKeySISZTIABCFMEIA-UHFFFAOYSA-N
XLogP0.15
TPSA103.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

Analyze N-(4-aminobutyl)-2-azidoacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-azido-N-octylacetamide
CID 91620085
N-(3-aminopropyl)-6-azidohexanamide
CID 151488540
2-amino-5-[(2-azidoacetyl)amino]pentanoic acid
CID 135352505
N-[5-[(2-azidoacetyl)amino]pentyl]-2-methylbutanamide
CID 153280143
2-azido-N-[5-(prop-2-enylamino)pentyl]acetamide
CID 167167902
methyl (2S)-2-amino-6-[(2-azidoacetyl)amino]hexanoate
CID 118655343
N-(2-acetamidoethyl)-2-azidoacetamide
CID 61374382
N-(6-aminohexyl)-2-iodoacetamide
CID 129106348
6-amino-N-(7-aminoheptyl)hexanamide
CID 56980494
N,N'-bis(12-aminododecyl)octanediamide
CID 58602052
N,N'-bis(7-aminoheptyl)pentanediamide
CID 86136288
N-(6-aminohexyl)-2-chloroacetamide
CID 14484874

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)-2-azidoacetamide?
The IUPAC name of N-(4-aminobutyl)-2-azidoacetamide (CID 137350213) is N-(4-aminobutyl)-2-azidoacetamide.
What is the SMILES notation for N-(4-aminobutyl)-2-azidoacetamide?
The canonical SMILES for N-(4-aminobutyl)-2-azidoacetamide is [N-]=[N+]=NCC(=O)NCCCCN.
What is the InChIKey of N-(4-aminobutyl)-2-azidoacetamide?
The InChIKey is SISZTIABCFMEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N5O/c7-3-1-2-4-9-6(12)5-10-11-8/h1-5,7H2,(H,9,12).
What are the key properties of N-(4-aminobutyl)-2-azidoacetamide?
N-(4-aminobutyl)-2-azidoacetamide has a molecular weight of 171.20 g/mol, XLogP of 0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)-2-azidoacetamide is sourced from PubChem (CID 137350213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).