1,14-diazidotetradecane

C14H28N6 — CID 146463967

IUPAC1,14-diazidotetradecane
SMILES[N-]=[N+]=NCCCCCCCCCCCCCCN=[N+]=[N-]
InChIInChI=1S/C14H28N6/c15-19-17-13-11-9-7-5-3-1-2-4-6-8-10-12-14-18-20-16/h1-14H2
InChIKeyGMIHEERWEYHXHI-UHFFFAOYSA-N
MW280.42 g/mol
LogP6.29
Rot. Bonds15

About 1,14-diazidotetradecane

1,14-diazidotetradecane (PubChem CID 146463967) has the molecular formula C14H28N6 and a molecular weight of 280.42 g/mol. Its IUPAC name is 1,14-diazidotetradecane.

Molecular Properties

Compound Name1,14-diazidotetradecane
PubChem CID146463967
Molecular FormulaC14H28N6
Molecular Weight280.42 g/mol
Exact Mass280.24
IUPAC Name1,14-diazidotetradecane
SMILES[N-]=[N+]=NCCCCCCCCCCCCCCN=[N+]=[N-]
InChIInChI=1S/C14H28N6/c15-19-17-13-11-9-7-5-3-1-2-4-6-8-10-12-14-18-20-16/h1-14H2
InChIKeyGMIHEERWEYHXHI-UHFFFAOYSA-N
XLogP6.29
TPSA97.52 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.42
LogP ≤ 56.29
H-Bond Donors ≤ 50
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

1-azidotriacontane
CID 71752669
6-azidohexan-1-ol
CID 11051778
9-azidononane-1-thiol
CID 89455155
9-azidononan-1-amine
CID 122424851
10-azidodecan-1-ol
CID 4641376
1-azidohexadecane
CID 11230945
8-azidooctan-1-ol
CID 11789665
1-azidooctane;hydrochloride
CID 175871639
6-azido-1,1-dideuteriohexan-1-ol
CID 175904391
6-azidohexyl(trimethyl)azanium
CID 152532563
11-azidoundec-1-ene
CID 10965429
8-azido-N-methyloctan-1-amine
CID 151243367

Frequently Asked Questions

What is the IUPAC name of 1,14-diazidotetradecane?
The IUPAC name of 1,14-diazidotetradecane (CID 146463967) is 1,14-diazidotetradecane.
What is the SMILES notation for 1,14-diazidotetradecane?
The canonical SMILES for 1,14-diazidotetradecane is [N-]=[N+]=NCCCCCCCCCCCCCCN=[N+]=[N-].
What is the InChIKey of 1,14-diazidotetradecane?
The InChIKey is GMIHEERWEYHXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N6/c15-19-17-13-11-9-7-5-3-1-2-4-6-8-10-12-14-18-20-16/h1-14H2.
What are the key properties of 1,14-diazidotetradecane?
1,14-diazidotetradecane has a molecular weight of 280.42 g/mol, XLogP of 6.29, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,14-diazidotetradecane is sourced from PubChem (CID 146463967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).