6,7-diazidododecane

C12H24N6 — CID 122603304

IUPAC6,7-diazidododecane
SMILESCCCCCC(N=[N+]=[N-])C(CCCCC)N=[N+]=[N-]
InChIInChI=1S/C12H24N6/c1-3-5-7-9-11(15-17-13)12(16-18-14)10-8-6-4-2/h11-12H,3-10H2,1-2H3
InChIKeyXZFGZJYLDUBOPF-UHFFFAOYSA-N
MW252.37 g/mol
LogP5.50
Rot. Bonds11

About 6,7-diazidododecane

6,7-diazidododecane (PubChem CID 122603304) has the molecular formula C12H24N6 and a molecular weight of 252.37 g/mol. Its IUPAC name is 6,7-diazidododecane.

Molecular Properties

Compound Name6,7-diazidododecane
PubChem CID122603304
Molecular FormulaC12H24N6
Molecular Weight252.37 g/mol
Exact Mass252.21
IUPAC Name6,7-diazidododecane
SMILESCCCCCC(N=[N+]=[N-])C(CCCCC)N=[N+]=[N-]
InChIInChI=1S/C12H24N6/c1-3-5-7-9-11(15-17-13)12(16-18-14)10-8-6-4-2/h11-12H,3-10H2,1-2H3
InChIKeyXZFGZJYLDUBOPF-UHFFFAOYSA-N
XLogP5.50
TPSA97.52 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.37
LogP ≤ 55.50
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

[(1R,2R)-2-azido-1-bromoheptyl]-trimethylsilane
CID 101260695
(2R)-2-azidohexadecane
CID 174670947
(2S)-2-azidononane
CID 102115708
(2S,3S,4R)-2-azidodecane-1,3,4-triol
CID 90749727
2-azidooctadecane-1,3,4-triol
CID 14017259
(2S,3R)-3-azido-2-butylheptanoic acid
CID 164670285
(2S)-2-azidoheptanoic acid
CID 122577491
1-azidododecane-1-sulfinic acid
CID 174505373
1-azidododecane-1-sulfinate
CID 174505372
6-azidodecanamide
CID 175969614
1-azidooctadecyl formate
CID 18522841
(4S,6R)-4,6-diazido-1,1-dimethoxytridecane
CID 10544133

Frequently Asked Questions

What is the IUPAC name of 6,7-diazidododecane?
The IUPAC name of 6,7-diazidododecane (CID 122603304) is 6,7-diazidododecane.
What is the SMILES notation for 6,7-diazidododecane?
The canonical SMILES for 6,7-diazidododecane is CCCCCC(N=[N+]=[N-])C(CCCCC)N=[N+]=[N-].
What is the InChIKey of 6,7-diazidododecane?
The InChIKey is XZFGZJYLDUBOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6/c1-3-5-7-9-11(15-17-13)12(16-18-14)10-8-6-4-2/h11-12H,3-10H2,1-2H3.
What are the key properties of 6,7-diazidododecane?
6,7-diazidododecane has a molecular weight of 252.37 g/mol, XLogP of 5.50, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diazidododecane is sourced from PubChem (CID 122603304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).