N-(4-azidobutyl)hexanamide

C10H20N4O — CID 106386708

IUPACN-(4-azidobutyl)hexanamide
SMILESCCCCCC(=O)NCCCCN=[N+]=[N-]
InChIInChI=1S/C10H20N4O/c1-2-3-4-7-10(15)12-8-5-6-9-13-14-11/h2-9H2,1H3,(H,12,15)
InChIKeySIXPCZMNQOJAMT-UHFFFAOYSA-N
MW212.30 g/mol
LogP2.77
Rot. Bonds9

About N-(4-azidobutyl)hexanamide

N-(4-azidobutyl)hexanamide (PubChem CID 106386708) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is N-(4-azidobutyl)hexanamide.

Molecular Properties

Compound NameN-(4-azidobutyl)hexanamide
PubChem CID106386708
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC NameN-(4-azidobutyl)hexanamide
SMILESCCCCCC(=O)NCCCCN=[N+]=[N-]
InChIInChI=1S/C10H20N4O/c1-2-3-4-7-10(15)12-8-5-6-9-13-14-11/h2-9H2,1H3,(H,12,15)
InChIKeySIXPCZMNQOJAMT-UHFFFAOYSA-N
XLogP2.77
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 52.77
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-(4-azidobutyl)heptanamide
CID 106386394
(9Z,12Z)-N-(6-azidohexyl)octadeca-9,12-dienamide
CID 53251543
2-azido-N-octylacetamide
CID 91620085
N-[2-(2-azidoethoxy)ethyl]hexadecanamide
CID 141376233
N-(3-aminopropyl)-6-azidohexanamide
CID 151488540
N-[7-(dodecanoylamino)heptyl]dodecanamide
CID 4580774
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783

Frequently Asked Questions

What is the IUPAC name of N-(4-azidobutyl)hexanamide?
The IUPAC name of N-(4-azidobutyl)hexanamide (CID 106386708) is N-(4-azidobutyl)hexanamide.
What is the SMILES notation for N-(4-azidobutyl)hexanamide?
The canonical SMILES for N-(4-azidobutyl)hexanamide is CCCCCC(=O)NCCCCN=[N+]=[N-].
What is the InChIKey of N-(4-azidobutyl)hexanamide?
The InChIKey is SIXPCZMNQOJAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-2-3-4-7-10(15)12-8-5-6-9-13-14-11/h2-9H2,1H3,(H,12,15).
What are the key properties of N-(4-azidobutyl)hexanamide?
N-(4-azidobutyl)hexanamide has a molecular weight of 212.30 g/mol, XLogP of 2.77, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-azidobutyl)hexanamide is sourced from PubChem (CID 106386708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).