14-azidotetradecane-2,5-dione

C14H25N3O2 — CID 135040428

IUPAC14-azidotetradecane-2,5-dione
SMILESCC(=O)CCC(=O)CCCCCCCCCN=[N+]=[N-]
InChIInChI=1S/C14H25N3O2/c1-13(18)10-11-14(19)9-7-5-3-2-4-6-8-12-16-17-15/h2-12H2,1H3
InChIKeyKGRRJMKLVPAALR-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.36
Rot. Bonds13

About 14-azidotetradecane-2,5-dione

14-azidotetradecane-2,5-dione (PubChem CID 135040428) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 14-azidotetradecane-2,5-dione.

Molecular Properties

Compound Name14-azidotetradecane-2,5-dione
PubChem CID135040428
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name14-azidotetradecane-2,5-dione
SMILESCC(=O)CCC(=O)CCCCCCCCCN=[N+]=[N-]
InChIInChI=1S/C14H25N3O2/c1-13(18)10-11-14(19)9-7-5-3-2-4-6-8-12-16-17-15/h2-12H2,1H3
InChIKeyKGRRJMKLVPAALR-UHFFFAOYSA-N
XLogP4.36
TPSA82.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.36
H-Bond Donors ≤ 50
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

16-azidohexadecan-2-one
CID 56624829
methyl 12-azido-3-oxododecanoate
CID 166511245
9-azidononanoic acid
CID 15230549
6-azidohexanoyl chloride
CID 14580383
6-azido-N-methylhexanamide
CID 130188396
(2S)-2-amino-12-azido-8-oxododecanoic acid
CID 157429021
heptadecane-2,5,8,11-tetrone
CID 12716046
9-azidononanoic acid;9-bromononanoic acid
CID 160878363
1,14-diazidotetradecane
CID 146463967
1-azido-7-(7-azido-4-oxoheptoxy)heptan-4-one
CID 157229574
(2,3,4,5,6-pentafluorophenyl) 6-azidohexanoate
CID 163715517
5-azidopentyl acetate
CID 11159583

Frequently Asked Questions

What is the IUPAC name of 14-azidotetradecane-2,5-dione?
The IUPAC name of 14-azidotetradecane-2,5-dione (CID 135040428) is 14-azidotetradecane-2,5-dione.
What is the SMILES notation for 14-azidotetradecane-2,5-dione?
The canonical SMILES for 14-azidotetradecane-2,5-dione is CC(=O)CCC(=O)CCCCCCCCCN=[N+]=[N-].
What is the InChIKey of 14-azidotetradecane-2,5-dione?
The InChIKey is KGRRJMKLVPAALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-13(18)10-11-14(19)9-7-5-3-2-4-6-8-12-16-17-15/h2-12H2,1H3.
What are the key properties of 14-azidotetradecane-2,5-dione?
14-azidotetradecane-2,5-dione has a molecular weight of 267.37 g/mol, XLogP of 4.36, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-azidotetradecane-2,5-dione is sourced from PubChem (CID 135040428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).