1-azido-2,2-bis(azidomethyl)dodecane

C14H27N9 — CID 90720911

IUPAC1-azido-2,2-bis(azidomethyl)dodecane
SMILESCCCCCCCCCCC(CN=[N+]=[N-])(CN=[N+]=[N-])CN=[N+]=[N-]
InChIInChI=1S/C14H27N9/c1-2-3-4-5-6-7-8-9-10-14(11-18-21-15,12-19-22-16)13-20-23-17/h2-13H2,1H3
InChIKeySZPRKNFSDNGGBB-UHFFFAOYSA-N
MW321.43 g/mol
LogP6.43
Rot. Bonds15

About 1-azido-2,2-bis(azidomethyl)dodecane

1-azido-2,2-bis(azidomethyl)dodecane (PubChem CID 90720911) has the molecular formula C14H27N9 and a molecular weight of 321.43 g/mol. Its IUPAC name is 1-azido-2,2-bis(azidomethyl)dodecane.

Molecular Properties

Compound Name1-azido-2,2-bis(azidomethyl)dodecane
PubChem CID90720911
Molecular FormulaC14H27N9
Molecular Weight321.43 g/mol
Exact Mass321.24
IUPAC Name1-azido-2,2-bis(azidomethyl)dodecane
SMILESCCCCCCCCCCC(CN=[N+]=[N-])(CN=[N+]=[N-])CN=[N+]=[N-]
InChIInChI=1S/C14H27N9/c1-2-3-4-5-6-7-8-9-10-14(11-18-21-15,12-19-22-16)13-20-23-17/h2-13H2,1H3
InChIKeySZPRKNFSDNGGBB-UHFFFAOYSA-N
XLogP6.43
TPSA146.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.43
LogP ≤ 56.43
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

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CID 90913331
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CID 19690418
8-hexyl-8-pentylhexadecane
CID 521602
10,10-dibutylicosane
CID 151498539
6,6-dipentylundecane
CID 19690398
1-azidotriacontane
CID 71752669
1-azidohexadecane
CID 11230945
1-azidooctane;hydrochloride
CID 175871639
5,5-dibutylhexadecane;phosphoric acid
CID 175353536
1-azidobutane
CID 4563922
3-heptadecyl-3-(2-hydroxyethyl)pentane-1,5-diol
CID 87979521

Frequently Asked Questions

What is the IUPAC name of 1-azido-2,2-bis(azidomethyl)dodecane?
The IUPAC name of 1-azido-2,2-bis(azidomethyl)dodecane (CID 90720911) is 1-azido-2,2-bis(azidomethyl)dodecane.
What is the SMILES notation for 1-azido-2,2-bis(azidomethyl)dodecane?
The canonical SMILES for 1-azido-2,2-bis(azidomethyl)dodecane is CCCCCCCCCCC(CN=[N+]=[N-])(CN=[N+]=[N-])CN=[N+]=[N-].
What is the InChIKey of 1-azido-2,2-bis(azidomethyl)dodecane?
The InChIKey is SZPRKNFSDNGGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N9/c1-2-3-4-5-6-7-8-9-10-14(11-18-21-15,12-19-22-16)13-20-23-17/h2-13H2,1H3.
What are the key properties of 1-azido-2,2-bis(azidomethyl)dodecane?
1-azido-2,2-bis(azidomethyl)dodecane has a molecular weight of 321.43 g/mol, XLogP of 6.43, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-2,2-bis(azidomethyl)dodecane is sourced from PubChem (CID 90720911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).