1,5-diazido-2,2,4,4-tetramethylpentane

C9H18N6 — CID 90051499

IUPAC1,5-diazido-2,2,4,4-tetramethylpentane
SMILESCC(C)(CN=[N+]=[N-])CC(C)(C)CN=[N+]=[N-]
InChIInChI=1S/C9H18N6/c1-8(2,6-12-14-10)5-9(3,4)7-13-15-11/h5-7H2,1-4H3
InChIKeyGVORQQKWTFBYMJ-UHFFFAOYSA-N
MW210.28 g/mol
LogP4.05
Rot. Bonds6

About 1,5-diazido-2,2,4,4-tetramethylpentane

1,5-diazido-2,2,4,4-tetramethylpentane (PubChem CID 90051499) has the molecular formula C9H18N6 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1,5-diazido-2,2,4,4-tetramethylpentane.

Molecular Properties

Compound Name1,5-diazido-2,2,4,4-tetramethylpentane
PubChem CID90051499
Molecular FormulaC9H18N6
Molecular Weight210.28 g/mol
Exact Mass210.16
IUPAC Name1,5-diazido-2,2,4,4-tetramethylpentane
SMILESCC(C)(CN=[N+]=[N-])CC(C)(C)CN=[N+]=[N-]
InChIInChI=1S/C9H18N6/c1-8(2,6-12-14-10)5-9(3,4)7-13-15-11/h5-7H2,1-4H3
InChIKeyGVORQQKWTFBYMJ-UHFFFAOYSA-N
XLogP4.05
TPSA97.52 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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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Frequently Asked Questions

What is the IUPAC name of 1,5-diazido-2,2,4,4-tetramethylpentane?
The IUPAC name of 1,5-diazido-2,2,4,4-tetramethylpentane (CID 90051499) is 1,5-diazido-2,2,4,4-tetramethylpentane.
What is the SMILES notation for 1,5-diazido-2,2,4,4-tetramethylpentane?
The canonical SMILES for 1,5-diazido-2,2,4,4-tetramethylpentane is CC(C)(CN=[N+]=[N-])CC(C)(C)CN=[N+]=[N-].
What is the InChIKey of 1,5-diazido-2,2,4,4-tetramethylpentane?
The InChIKey is GVORQQKWTFBYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6/c1-8(2,6-12-14-10)5-9(3,4)7-13-15-11/h5-7H2,1-4H3.
What are the key properties of 1,5-diazido-2,2,4,4-tetramethylpentane?
1,5-diazido-2,2,4,4-tetramethylpentane has a molecular weight of 210.28 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diazido-2,2,4,4-tetramethylpentane is sourced from PubChem (CID 90051499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).