5-(diethylamino)pentanenitrile

C9H18N2 — CID 559481

IUPAC5-(diethylamino)pentanenitrile
SMILESCCN(CC)CCCCC#N
InChIInChI=1S/C9H18N2/c1-3-11(4-2)9-7-5-6-8-10/h3-7,9H2,1-2H3
InChIKeyRLHLKRQJVSVNIQ-UHFFFAOYSA-N
MW154.26 g/mol
LogP2.02
Rot. Bonds6

About 5-(diethylamino)pentanenitrile

5-(diethylamino)pentanenitrile (PubChem CID 559481) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 5-(diethylamino)pentanenitrile.

Molecular Properties

Compound Name5-(diethylamino)pentanenitrile
PubChem CID559481
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name5-(diethylamino)pentanenitrile
SMILESCCN(CC)CCCCC#N
InChIInChI=1S/C9H18N2/c1-3-11(4-2)9-7-5-6-8-10/h3-7,9H2,1-2H3
InChIKeyRLHLKRQJVSVNIQ-UHFFFAOYSA-N
XLogP2.02
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)pentanenitrile?
The IUPAC name of 5-(diethylamino)pentanenitrile (CID 559481) is 5-(diethylamino)pentanenitrile.
What is the SMILES notation for 5-(diethylamino)pentanenitrile?
The canonical SMILES for 5-(diethylamino)pentanenitrile is CCN(CC)CCCCC#N.
What is the InChIKey of 5-(diethylamino)pentanenitrile?
The InChIKey is RLHLKRQJVSVNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-3-11(4-2)9-7-5-6-8-10/h3-7,9H2,1-2H3.
What are the key properties of 5-(diethylamino)pentanenitrile?
5-(diethylamino)pentanenitrile has a molecular weight of 154.26 g/mol, XLogP of 2.02, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)pentanenitrile is sourced from PubChem (CID 559481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).