4-[(aminodiazenyl)methyl]-1-methylpiperidine

C7H16N4 — CID 90208840

IUPAC4-[(aminodiazenyl)methyl]-1-methylpiperidine
SMILESCN1CCC(C/N=N/N)CC1
InChIInChI=1S/C7H16N4/c1-11-4-2-7(3-5-11)6-9-10-8/h7H,2-6H2,1H3,(H2,8,9)
InChIKeyKRAIGAVVUGYDMI-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.65
Rot. Bonds2

About 4-[(aminodiazenyl)methyl]-1-methylpiperidine

4-[(aminodiazenyl)methyl]-1-methylpiperidine (PubChem CID 90208840) has the molecular formula C7H16N4 and a molecular weight of 156.23 g/mol. Its IUPAC name is 4-[(aminodiazenyl)methyl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[(aminodiazenyl)methyl]-1-methylpiperidine
PubChem CID90208840
Molecular FormulaC7H16N4
Molecular Weight156.23 g/mol
Exact Mass156.14
IUPAC Name4-[(aminodiazenyl)methyl]-1-methylpiperidine
SMILESCN1CCC(C/N=N/N)CC1
InChIInChI=1S/C7H16N4/c1-11-4-2-7(3-5-11)6-9-10-8/h7H,2-6H2,1H3,(H2,8,9)
InChIKeyKRAIGAVVUGYDMI-UHFFFAOYSA-N
XLogP0.65
TPSA53.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 4-[(aminodiazenyl)methyl]-1-methylpiperidine?
The IUPAC name of 4-[(aminodiazenyl)methyl]-1-methylpiperidine (CID 90208840) is 4-[(aminodiazenyl)methyl]-1-methylpiperidine.
What is the SMILES notation for 4-[(aminodiazenyl)methyl]-1-methylpiperidine?
The canonical SMILES for 4-[(aminodiazenyl)methyl]-1-methylpiperidine is CN1CCC(C/N=N/N)CC1.
What is the InChIKey of 4-[(aminodiazenyl)methyl]-1-methylpiperidine?
The InChIKey is KRAIGAVVUGYDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4/c1-11-4-2-7(3-5-11)6-9-10-8/h7H,2-6H2,1H3,(H2,8,9).
What are the key properties of 4-[(aminodiazenyl)methyl]-1-methylpiperidine?
4-[(aminodiazenyl)methyl]-1-methylpiperidine has a molecular weight of 156.23 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(aminodiazenyl)methyl]-1-methylpiperidine is sourced from PubChem (CID 90208840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).