1-(diazonioamino)-5-methylideneheptane

C8H16N3+ — CID 166763900

IUPAC1-(diazonioamino)-5-methylideneheptane
SMILESC=C(CC)CCCCN[N+]#N
InChIInChI=1S/C8H16N3/c1-3-8(2)6-4-5-7-10-11-9/h10H,2-7H2,1H3/q+1
InChIKeyXCWOTUMBVSOYGO-UHFFFAOYSA-N
MW154.24 g/mol
LogP2.48
Rot. Bonds6

About 1-(diazonioamino)-5-methylideneheptane

1-(diazonioamino)-5-methylideneheptane (PubChem CID 166763900) has the molecular formula C8H16N3+ and a molecular weight of 154.24 g/mol. Its IUPAC name is 1-(diazonioamino)-5-methylideneheptane.

Molecular Properties

Compound Name1-(diazonioamino)-5-methylideneheptane
PubChem CID166763900
Molecular FormulaC8H16N3+
Molecular Weight154.24 g/mol
Exact Mass154.13
IUPAC Name1-(diazonioamino)-5-methylideneheptane
SMILESC=C(CC)CCCCN[N+]#N
InChIInChI=1S/C8H16N3/c1-3-8(2)6-4-5-7-10-11-9/h10H,2-7H2,1H3/q+1
InChIKeyXCWOTUMBVSOYGO-UHFFFAOYSA-N
XLogP2.48
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(diazonioamino)-5-methylideneheptane?
The IUPAC name of 1-(diazonioamino)-5-methylideneheptane (CID 166763900) is 1-(diazonioamino)-5-methylideneheptane.
What is the SMILES notation for 1-(diazonioamino)-5-methylideneheptane?
The canonical SMILES for 1-(diazonioamino)-5-methylideneheptane is C=C(CC)CCCCN[N+]#N.
What is the InChIKey of 1-(diazonioamino)-5-methylideneheptane?
The InChIKey is XCWOTUMBVSOYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N3/c1-3-8(2)6-4-5-7-10-11-9/h10H,2-7H2,1H3/q+1.
What are the key properties of 1-(diazonioamino)-5-methylideneheptane?
1-(diazonioamino)-5-methylideneheptane has a molecular weight of 154.24 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diazonioamino)-5-methylideneheptane is sourced from PubChem (CID 166763900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).