(7-azido-3-ethynylheptyl)benzene

C15H19N3 — CID 132522566

IUPAC(7-azido-3-ethynylheptyl)benzene
SMILESC#CC(CCCCN=[N+]=[N-])CCc1ccccc1
InChIInChI=1S/C15H19N3/c1-2-14(8-6-7-13-17-18-16)11-12-15-9-4-3-5-10-15/h1,3-5,9-10,14H,6-8,11-13H2
InChIKeyFPTPXCMODANYKX-UHFFFAOYSA-N
MW241.34 g/mol
LogP4.35
Rot. Bonds8

About (7-azido-3-ethynylheptyl)benzene

(7-azido-3-ethynylheptyl)benzene (PubChem CID 132522566) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is (7-azido-3-ethynylheptyl)benzene.

Molecular Properties

Compound Name(7-azido-3-ethynylheptyl)benzene
PubChem CID132522566
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name(7-azido-3-ethynylheptyl)benzene
SMILESC#CC(CCCCN=[N+]=[N-])CCc1ccccc1
InChIInChI=1S/C15H19N3/c1-2-14(8-6-7-13-17-18-16)11-12-15-9-4-3-5-10-15/h1,3-5,9-10,14H,6-8,11-13H2
InChIKeyFPTPXCMODANYKX-UHFFFAOYSA-N
XLogP4.35
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-ethynyl-6-iodohexyl)benzene
CID 11197722
4-(6-azidohexoxy)butylbenzene
CID 10967751
4-azidobutyl(triphenyl)phosphanium iodide
CID 170316714
tert-butyl-dimethyl-[7-(2-phenylethyl)non-8-ynoxy]silane
CID 132522568
3,4-diazidobutylbenzene
CID 151154204
[(3S)-5-phenylpent-1-en-3-yl] 4-azidobutanoate
CID 134858093
3-azidobutylbenzene
CID 11805255
N-(4-azidobutyl)-4-phenylbutanamide
CID 114182194
1-(4-azidobutyl)-4-bromobenzene
CID 151024491
2-(3-azidopropylamino)-2-methyl-4-phenylbutanenitrile
CID 66190668
10-azidodecylsulfanylbenzene
CID 134842747
[3-azido-2-(azidomethyl)propyl]benzene
CID 15477707

Frequently Asked Questions

What is the IUPAC name of (7-azido-3-ethynylheptyl)benzene?
The IUPAC name of (7-azido-3-ethynylheptyl)benzene (CID 132522566) is (7-azido-3-ethynylheptyl)benzene.
What is the SMILES notation for (7-azido-3-ethynylheptyl)benzene?
The canonical SMILES for (7-azido-3-ethynylheptyl)benzene is C#CC(CCCCN=[N+]=[N-])CCc1ccccc1.
What is the InChIKey of (7-azido-3-ethynylheptyl)benzene?
The InChIKey is FPTPXCMODANYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-2-14(8-6-7-13-17-18-16)11-12-15-9-4-3-5-10-15/h1,3-5,9-10,14H,6-8,11-13H2.
What are the key properties of (7-azido-3-ethynylheptyl)benzene?
(7-azido-3-ethynylheptyl)benzene has a molecular weight of 241.34 g/mol, XLogP of 4.35, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7-azido-3-ethynylheptyl)benzene is sourced from PubChem (CID 132522566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).