lithium N,N-bis(prop-2-enyl)aniline

C12H14LiN — CID 15485267

IUPAClithium N,N-bis(prop-2-enyl)aniline
SMILESC=CCN(CC=C)c1[c-]cccc1.[Li+]
InChIInChI=1S/C12H14N.Li/c1-3-10-13(11-4-2)12-8-6-5-7-9-12;/h3-8H,1-2,10-11H2;/q-1;+1
InChIKeyCVIRBXBEHDUNPJ-UHFFFAOYSA-N
MW179.19 g/mol
LogP-0.33
Rot. Bonds5

About lithium N,N-bis(prop-2-enyl)aniline

lithium N,N-bis(prop-2-enyl)aniline (PubChem CID 15485267) has the molecular formula C12H14LiN and a molecular weight of 179.19 g/mol. Its IUPAC name is lithium N,N-bis(prop-2-enyl)aniline.

Molecular Properties

Compound Namelithium N,N-bis(prop-2-enyl)aniline
PubChem CID15485267
Molecular FormulaC12H14LiN
Molecular Weight179.19 g/mol
Exact Mass179.13
IUPAC Namelithium N,N-bis(prop-2-enyl)aniline
SMILESC=CCN(CC=C)c1[c-]cccc1.[Li+]
InChIInChI=1S/C12H14N.Li/c1-3-10-13(11-4-2)12-8-6-5-7-9-12;/h3-8H,1-2,10-11H2;/q-1;+1
InChIKeyCVIRBXBEHDUNPJ-UHFFFAOYSA-N
XLogP-0.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 5-0.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of lithium N,N-bis(prop-2-enyl)aniline?
The IUPAC name of lithium N,N-bis(prop-2-enyl)aniline (CID 15485267) is lithium N,N-bis(prop-2-enyl)aniline.
What is the SMILES notation for lithium N,N-bis(prop-2-enyl)aniline?
The canonical SMILES for lithium N,N-bis(prop-2-enyl)aniline is C=CCN(CC=C)c1[c-]cccc1.[Li+].
What is the InChIKey of lithium N,N-bis(prop-2-enyl)aniline?
The InChIKey is CVIRBXBEHDUNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N.Li/c1-3-10-13(11-4-2)12-8-6-5-7-9-12;/h3-8H,1-2,10-11H2;/q-1;+1.
What are the key properties of lithium N,N-bis(prop-2-enyl)aniline?
lithium N,N-bis(prop-2-enyl)aniline has a molecular weight of 179.19 g/mol, XLogP of -0.33, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium N,N-bis(prop-2-enyl)aniline is sourced from PubChem (CID 15485267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).