3-(butyldiazenyl)-2-methylpropanenitrile

C8H15N3 — CID 19710481

IUPAC3-(butyldiazenyl)-2-methylpropanenitrile
SMILESCCCC/N=N/CC(C)C#N
InChIInChI=1S/C8H15N3/c1-3-4-5-10-11-7-8(2)6-9/h8H,3-5,7H2,1-2H3/b11-10+
InChIKeyRSINRVXOJPSFAG-ZHACJKMWSA-N
MW153.23 g/mol
LogP2.40
Rot. Bonds5

About 3-(butyldiazenyl)-2-methylpropanenitrile

3-(butyldiazenyl)-2-methylpropanenitrile (PubChem CID 19710481) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 3-(butyldiazenyl)-2-methylpropanenitrile.

Molecular Properties

Compound Name3-(butyldiazenyl)-2-methylpropanenitrile
PubChem CID19710481
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name3-(butyldiazenyl)-2-methylpropanenitrile
SMILESCCCC/N=N/CC(C)C#N
InChIInChI=1S/C8H15N3/c1-3-4-5-10-11-7-8(2)6-9/h8H,3-5,7H2,1-2H3/b11-10+
InChIKeyRSINRVXOJPSFAG-ZHACJKMWSA-N
XLogP2.40
TPSA48.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(butyldiazenyl)-2-methylpropanenitrile?
The IUPAC name of 3-(butyldiazenyl)-2-methylpropanenitrile (CID 19710481) is 3-(butyldiazenyl)-2-methylpropanenitrile.
What is the SMILES notation for 3-(butyldiazenyl)-2-methylpropanenitrile?
The canonical SMILES for 3-(butyldiazenyl)-2-methylpropanenitrile is CCCC/N=N/CC(C)C#N.
What is the InChIKey of 3-(butyldiazenyl)-2-methylpropanenitrile?
The InChIKey is RSINRVXOJPSFAG-ZHACJKMWSA-N. The full InChI is InChI=1S/C8H15N3/c1-3-4-5-10-11-7-8(2)6-9/h8H,3-5,7H2,1-2H3/b11-10+.
What are the key properties of 3-(butyldiazenyl)-2-methylpropanenitrile?
3-(butyldiazenyl)-2-methylpropanenitrile has a molecular weight of 153.23 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butyldiazenyl)-2-methylpropanenitrile is sourced from PubChem (CID 19710481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).