lithium N,N-diethylbut-1-en-1-amine

C8H16LiN — CID 175230387

IUPAClithium N,N-diethylbut-1-en-1-amine
SMILESCC/C=[C-]/N(CC)CC.[Li+]
InChIInChI=1S/C8H16N.Li/c1-4-7-8-9(5-2)6-3;/h7H,4-6H2,1-3H3;/q-1;+1
InChIKeyFAVJGTCLNFYKNK-UHFFFAOYSA-N
MW133.16 g/mol
LogP-0.94
Rot. Bonds4

About lithium N,N-diethylbut-1-en-1-amine

lithium N,N-diethylbut-1-en-1-amine (PubChem CID 175230387) has the molecular formula C8H16LiN and a molecular weight of 133.16 g/mol. Its IUPAC name is lithium N,N-diethylbut-1-en-1-amine.

Molecular Properties

Compound Namelithium N,N-diethylbut-1-en-1-amine
PubChem CID175230387
Molecular FormulaC8H16LiN
Molecular Weight133.16 g/mol
Exact Mass133.14
IUPAC Namelithium N,N-diethylbut-1-en-1-amine
SMILESCC/C=[C-]/N(CC)CC.[Li+]
InChIInChI=1S/C8H16N.Li/c1-4-7-8-9(5-2)6-3;/h7H,4-6H2,1-3H3;/q-1;+1
InChIKeyFAVJGTCLNFYKNK-UHFFFAOYSA-N
XLogP-0.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.16
LogP ≤ 5-0.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium N,N-diethylbut-1-en-1-amine?
The IUPAC name of lithium N,N-diethylbut-1-en-1-amine (CID 175230387) is lithium N,N-diethylbut-1-en-1-amine.
What is the SMILES notation for lithium N,N-diethylbut-1-en-1-amine?
The canonical SMILES for lithium N,N-diethylbut-1-en-1-amine is CC/C=[C-]/N(CC)CC.[Li+].
What is the InChIKey of lithium N,N-diethylbut-1-en-1-amine?
The InChIKey is FAVJGTCLNFYKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N.Li/c1-4-7-8-9(5-2)6-3;/h7H,4-6H2,1-3H3;/q-1;+1.
What are the key properties of lithium N,N-diethylbut-1-en-1-amine?
lithium N,N-diethylbut-1-en-1-amine has a molecular weight of 133.16 g/mol, XLogP of -0.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium N,N-diethylbut-1-en-1-amine is sourced from PubChem (CID 175230387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).