sodium N,N-diethylaniline

C10H14NNa — CID 20551492

IUPACsodium N,N-diethylaniline
SMILESCCN(CC)c1cc[c-]cc1.[Na+]
InChIInChI=1S/C10H14N.Na/c1-3-11(4-2)10-8-6-5-7-9-10;/h6-9H,3-4H2,1-2H3;/q-1;+1
InChIKeyVVEHKOIIGNGNIZ-UHFFFAOYSA-N
MW171.22 g/mol
LogP-0.66
Rot. Bonds3

About sodium N,N-diethylaniline

sodium N,N-diethylaniline (PubChem CID 20551492) has the molecular formula C10H14NNa and a molecular weight of 171.22 g/mol. Its IUPAC name is sodium N,N-diethylaniline.

Molecular Properties

Compound Namesodium N,N-diethylaniline
PubChem CID20551492
Molecular FormulaC10H14NNa
Molecular Weight171.22 g/mol
Exact Mass171.10
IUPAC Namesodium N,N-diethylaniline
SMILESCCN(CC)c1cc[c-]cc1.[Na+]
InChIInChI=1S/C10H14N.Na/c1-3-11(4-2)10-8-6-5-7-9-10;/h6-9H,3-4H2,1-2H3;/q-1;+1
InChIKeyVVEHKOIIGNGNIZ-UHFFFAOYSA-N
XLogP-0.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 5-0.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium N,N-diethylaniline?
The IUPAC name of sodium N,N-diethylaniline (CID 20551492) is sodium N,N-diethylaniline.
What is the SMILES notation for sodium N,N-diethylaniline?
The canonical SMILES for sodium N,N-diethylaniline is CCN(CC)c1cc[c-]cc1.[Na+].
What is the InChIKey of sodium N,N-diethylaniline?
The InChIKey is VVEHKOIIGNGNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N.Na/c1-3-11(4-2)10-8-6-5-7-9-10;/h6-9H,3-4H2,1-2H3;/q-1;+1.
What are the key properties of sodium N,N-diethylaniline?
sodium N,N-diethylaniline has a molecular weight of 171.22 g/mol, XLogP of -0.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium N,N-diethylaniline is sourced from PubChem (CID 20551492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).