2-(azonan-1-yl)acetonitrile

C10H18N2 — CID 127001300

IUPAC2-(azonan-1-yl)acetonitrile
SMILESN#CCN1CCCCCCCC1
InChIInChI=1S/C10H18N2/c11-7-10-12-8-5-3-1-2-4-6-9-12/h1-6,8-10H2
InChIKeyOTECESGTNJNMNR-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.17
Rot. Bonds1

About 2-(azonan-1-yl)acetonitrile

2-(azonan-1-yl)acetonitrile (PubChem CID 127001300) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 2-(azonan-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(azonan-1-yl)acetonitrile
PubChem CID127001300
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name2-(azonan-1-yl)acetonitrile
SMILESN#CCN1CCCCCCCC1
InChIInChI=1S/C10H18N2/c11-7-10-12-8-5-3-1-2-4-6-9-12/h1-6,8-10H2
InChIKeyOTECESGTNJNMNR-UHFFFAOYSA-N
XLogP2.17
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(azonan-1-yl)acetonitrile?
The IUPAC name of 2-(azonan-1-yl)acetonitrile (CID 127001300) is 2-(azonan-1-yl)acetonitrile.
What is the SMILES notation for 2-(azonan-1-yl)acetonitrile?
The canonical SMILES for 2-(azonan-1-yl)acetonitrile is N#CCN1CCCCCCCC1.
What is the InChIKey of 2-(azonan-1-yl)acetonitrile?
The InChIKey is OTECESGTNJNMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c11-7-10-12-8-5-3-1-2-4-6-9-12/h1-6,8-10H2.
What are the key properties of 2-(azonan-1-yl)acetonitrile?
2-(azonan-1-yl)acetonitrile has a molecular weight of 166.27 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azonan-1-yl)acetonitrile is sourced from PubChem (CID 127001300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).