1-(2-azidoethyl)-4-hexylbenzene

C14H21N3 — CID 142738236

IUPAC1-(2-azidoethyl)-4-hexylbenzene
SMILESCCCCCCc1ccc(CCN=[N+]=[N-])cc1
InChIInChI=1S/C14H21N3/c1-2-3-4-5-6-13-7-9-14(10-8-13)11-12-16-17-15/h7-10H,2-6,11-12H2,1H3
InChIKeyZKLFYDLVUUSMJH-UHFFFAOYSA-N
MW231.34 g/mol
LogP4.66
Rot. Bonds8

About 1-(2-azidoethyl)-4-hexylbenzene

1-(2-azidoethyl)-4-hexylbenzene (PubChem CID 142738236) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(2-azidoethyl)-4-hexylbenzene.

Molecular Properties

Compound Name1-(2-azidoethyl)-4-hexylbenzene
PubChem CID142738236
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name1-(2-azidoethyl)-4-hexylbenzene
SMILESCCCCCCc1ccc(CCN=[N+]=[N-])cc1
InChIInChI=1S/C14H21N3/c1-2-3-4-5-6-13-7-9-14(10-8-13)11-12-16-17-15/h7-10H,2-6,11-12H2,1H3
InChIKeyZKLFYDLVUUSMJH-UHFFFAOYSA-N
XLogP4.66
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 54.66
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

1-butyl-4-nonylbenzene
CID 59545302
1-methyl-4-octylbenzene
CID 11052746
4-dodecylaniline;nonadecane
CID 155059812
4-hexadecylaniline
CID 571906
1-ethyl-4-octacosylbenzene
CID 175218304
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
1-azidohexadecane
CID 11230945
bis(4-decylphenyl)diazene
CID 71359462
1-(2-azidoethyl)-4-fluorobenzene
CID 59667428
1-(1-azidoethenyl)-4-pentylbenzene
CID 176909634
1-(8-methylnonyl)-4-pentylbenzene
CID 158864216
1-(6-methylheptyl)-4-pentylbenzene
CID 158425503

Frequently Asked Questions

What is the IUPAC name of 1-(2-azidoethyl)-4-hexylbenzene?
The IUPAC name of 1-(2-azidoethyl)-4-hexylbenzene (CID 142738236) is 1-(2-azidoethyl)-4-hexylbenzene.
What is the SMILES notation for 1-(2-azidoethyl)-4-hexylbenzene?
The canonical SMILES for 1-(2-azidoethyl)-4-hexylbenzene is CCCCCCc1ccc(CCN=[N+]=[N-])cc1.
What is the InChIKey of 1-(2-azidoethyl)-4-hexylbenzene?
The InChIKey is ZKLFYDLVUUSMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-2-3-4-5-6-13-7-9-14(10-8-13)11-12-16-17-15/h7-10H,2-6,11-12H2,1H3.
What are the key properties of 1-(2-azidoethyl)-4-hexylbenzene?
1-(2-azidoethyl)-4-hexylbenzene has a molecular weight of 231.34 g/mol, XLogP of 4.66, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azidoethyl)-4-hexylbenzene is sourced from PubChem (CID 142738236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).