6-(diethylamino)hexanenitrile

C10H20N2 — CID 23423707

IUPAC6-(diethylamino)hexanenitrile
SMILESCCN(CC)CCCCCC#N
InChIInChI=1S/C10H20N2/c1-3-12(4-2)10-8-6-5-7-9-11/h3-8,10H2,1-2H3
InChIKeyWEYQDIOFTCWQJO-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.41
Rot. Bonds7

About 6-(diethylamino)hexanenitrile

6-(diethylamino)hexanenitrile (PubChem CID 23423707) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 6-(diethylamino)hexanenitrile.

Molecular Properties

Compound Name6-(diethylamino)hexanenitrile
PubChem CID23423707
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name6-(diethylamino)hexanenitrile
SMILESCCN(CC)CCCCCC#N
InChIInChI=1S/C10H20N2/c1-3-12(4-2)10-8-6-5-7-9-11/h3-8,10H2,1-2H3
InChIKeyWEYQDIOFTCWQJO-UHFFFAOYSA-N
XLogP2.41
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.41
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 6-(diethylamino)hexanenitrile?
The IUPAC name of 6-(diethylamino)hexanenitrile (CID 23423707) is 6-(diethylamino)hexanenitrile.
What is the SMILES notation for 6-(diethylamino)hexanenitrile?
The canonical SMILES for 6-(diethylamino)hexanenitrile is CCN(CC)CCCCCC#N.
What is the InChIKey of 6-(diethylamino)hexanenitrile?
The InChIKey is WEYQDIOFTCWQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-3-12(4-2)10-8-6-5-7-9-11/h3-8,10H2,1-2H3.
What are the key properties of 6-(diethylamino)hexanenitrile?
6-(diethylamino)hexanenitrile has a molecular weight of 168.28 g/mol, XLogP of 2.41, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylamino)hexanenitrile is sourced from PubChem (CID 23423707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).