N-(3-aminopropyl)-6-azidohexanamide

C9H19N5O — CID 151488540

IUPACN-(3-aminopropyl)-6-azidohexanamide
SMILES[N-]=[N+]=NCCCCCC(=O)NCCCN
InChIInChI=1S/C9H19N5O/c10-6-4-7-12-9(15)5-2-1-3-8-13-14-11/h1-8,10H2,(H,12,15)
InChIKeyPNYXDQALXLBTHF-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.32
Rot. Bonds9

About N-(3-aminopropyl)-6-azidohexanamide

N-(3-aminopropyl)-6-azidohexanamide (PubChem CID 151488540) has the molecular formula C9H19N5O and a molecular weight of 213.28 g/mol. Its IUPAC name is N-(3-aminopropyl)-6-azidohexanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-6-azidohexanamide
PubChem CID151488540
Molecular FormulaC9H19N5O
Molecular Weight213.28 g/mol
Exact Mass213.16
IUPAC NameN-(3-aminopropyl)-6-azidohexanamide
SMILES[N-]=[N+]=NCCCCCC(=O)NCCCN
InChIInChI=1S/C9H19N5O/c10-6-4-7-12-9(15)5-2-1-3-8-13-14-11/h1-8,10H2,(H,12,15)
InChIKeyPNYXDQALXLBTHF-UHFFFAOYSA-N
XLogP1.32
TPSA103.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.32
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'}

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Related Compounds

N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-6-azidohexanamide
CID 171532583
N-(4-azidobutyl)heptanamide
CID 106386394
N-(4-azidobutyl)hexanamide
CID 106386708
5-(6-azidohexylamino)-5-oxopentanoic acid
CID 58992347
18-azido-N-[2-[3-[[3-[2-(18-azidooctadecanoylamino)ethylamino]-3-oxopropyl]-[2-[bis[3-[2-(18-azidooctadecanoylamino)ethylamino]-3-oxopropyl]amino]ethyl]amino]propanoylamino]ethyl]octadecanamide
CID 175974190
6-amino-N-(7-aminoheptyl)hexanamide
CID 56980494
N,N'-bis(12-aminododecyl)octanediamide
CID 58602052
N-(4-aminobutyl)-2-azidoacetamide
CID 137350213
9-aminononanoic acid;9-azidononanoic acid
CID 159969853
N-(4-azidobutyl)-4-ethoxybutanamide
CID 106386746
N-(3-aminopropyl)-3-[2,2-bis[[3-(3-aminopropylamino)-3-oxopropoxy]methyl]-3-azidopropoxy]propanamide
CID 170227083
6-azido-N-methylhexanamide
CID 130188396

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-6-azidohexanamide?
The IUPAC name of N-(3-aminopropyl)-6-azidohexanamide (CID 151488540) is N-(3-aminopropyl)-6-azidohexanamide.
What is the SMILES notation for N-(3-aminopropyl)-6-azidohexanamide?
The canonical SMILES for N-(3-aminopropyl)-6-azidohexanamide is [N-]=[N+]=NCCCCCC(=O)NCCCN.
What is the InChIKey of N-(3-aminopropyl)-6-azidohexanamide?
The InChIKey is PNYXDQALXLBTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5O/c10-6-4-7-12-9(15)5-2-1-3-8-13-14-11/h1-8,10H2,(H,12,15).
What are the key properties of N-(3-aminopropyl)-6-azidohexanamide?
N-(3-aminopropyl)-6-azidohexanamide has a molecular weight of 213.28 g/mol, XLogP of 1.32, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-6-azidohexanamide is sourced from PubChem (CID 151488540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).