1,5-diazido-3,3-diethylpentane

C9H18N6 — CID 122548237

IUPAC1,5-diazido-3,3-diethylpentane
SMILESCCC(CC)(CCN=[N+]=[N-])CCN=[N+]=[N-]
InChIInChI=1S/C9H18N6/c1-3-9(4-2,5-7-12-14-10)6-8-13-15-11/h3-8H2,1-2H3
InChIKeyCNLQLRWZWVPHML-UHFFFAOYSA-N
MW210.28 g/mol
LogP4.19
Rot. Bonds8

About 1,5-diazido-3,3-diethylpentane

1,5-diazido-3,3-diethylpentane (PubChem CID 122548237) has the molecular formula C9H18N6 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1,5-diazido-3,3-diethylpentane.

Molecular Properties

Compound Name1,5-diazido-3,3-diethylpentane
PubChem CID122548237
Molecular FormulaC9H18N6
Molecular Weight210.28 g/mol
Exact Mass210.16
IUPAC Name1,5-diazido-3,3-diethylpentane
SMILESCCC(CC)(CCN=[N+]=[N-])CCN=[N+]=[N-]
InChIInChI=1S/C9H18N6/c1-3-9(4-2,5-7-12-14-10)6-8-13-15-11/h3-8H2,1-2H3
InChIKeyCNLQLRWZWVPHML-UHFFFAOYSA-N
XLogP4.19
TPSA97.52 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 54.19
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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Related Compounds

1-Azido-4,4,5,5-tetramethylhexane
CID 20706505
1-Azido-2,2,4,4-tetramethylpentane
CID 20715414
1-Azido-5,5-dimethylhexane
CID 59832573
3-(Azidomethyl)-3-ethylpentane
CID 60103485
1,4-Diazido-2,2,3,3-tetramethylbutane
CID 89128179
3,3-Dimethylpentyldiazene
CID 89324765
1-Azido-2,2,4-trimethylpentane
CID 89425532
3-(Azidomethyl)-3-methylpentane
CID 89983990
1,5-Diazido-2,2,4,4-tetramethylpentane
CID 90051499
Bis(3-ethylpentyl)diazene
CID 90690041
Bis(3-methylpentyl)diazene
CID 91295494
1-Azido-2,2,3,3-tetramethylpentane
CID 122490389

Frequently Asked Questions

What is the IUPAC name of 1,5-diazido-3,3-diethylpentane?
The IUPAC name of 1,5-diazido-3,3-diethylpentane (CID 122548237) is 1,5-diazido-3,3-diethylpentane.
What is the SMILES notation for 1,5-diazido-3,3-diethylpentane?
The canonical SMILES for 1,5-diazido-3,3-diethylpentane is CCC(CC)(CCN=[N+]=[N-])CCN=[N+]=[N-].
What is the InChIKey of 1,5-diazido-3,3-diethylpentane?
The InChIKey is CNLQLRWZWVPHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6/c1-3-9(4-2,5-7-12-14-10)6-8-13-15-11/h3-8H2,1-2H3.
What are the key properties of 1,5-diazido-3,3-diethylpentane?
1,5-diazido-3,3-diethylpentane has a molecular weight of 210.28 g/mol, XLogP of 4.19, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diazido-3,3-diethylpentane is sourced from PubChem (CID 122548237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).