lithium (E)-N,N-diethyl-2-methylbut-2-en-1-amine

C9H18LiN — CID 90302365

IUPAClithium (E)-N,N-diethyl-2-methylbut-2-en-1-amine
SMILES[CH2-]/C=C(\C)CN(CC)CC.[Li+]
InChIInChI=1S/C9H18N.Li/c1-5-9(4)8-10(6-2)7-3;/h5H,1,6-8H2,2-4H3;/q-1;+1/b9-5+;
InChIKeyFNIDLCXDJZUVEJ-SZKNIZGXSA-N
MW147.19 g/mol
LogP-0.89
Rot. Bonds4

About lithium (E)-N,N-diethyl-2-methylbut-2-en-1-amine

lithium (E)-N,N-diethyl-2-methylbut-2-en-1-amine (PubChem CID 90302365) has the molecular formula C9H18LiN and a molecular weight of 147.19 g/mol. Its IUPAC name is lithium (E)-N,N-diethyl-2-methylbut-2-en-1-amine.

Molecular Properties

Compound Namelithium (E)-N,N-diethyl-2-methylbut-2-en-1-amine
PubChem CID90302365
Molecular FormulaC9H18LiN
Molecular Weight147.19 g/mol
Exact Mass147.16
IUPAC Namelithium (E)-N,N-diethyl-2-methylbut-2-en-1-amine
SMILES[CH2-]/C=C(\C)CN(CC)CC.[Li+]
InChIInChI=1S/C9H18N.Li/c1-5-9(4)8-10(6-2)7-3;/h5H,1,6-8H2,2-4H3;/q-1;+1/b9-5+;
InChIKeyFNIDLCXDJZUVEJ-SZKNIZGXSA-N
XLogP-0.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.19
LogP ≤ 5-0.89
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 lithium (E)-N,N-diethyl-2-methylbut-2-en-1-amine?
The IUPAC name of lithium (E)-N,N-diethyl-2-methylbut-2-en-1-amine (CID 90302365) is lithium (E)-N,N-diethyl-2-methylbut-2-en-1-amine.
What is the SMILES notation for lithium (E)-N,N-diethyl-2-methylbut-2-en-1-amine?
The canonical SMILES for lithium (E)-N,N-diethyl-2-methylbut-2-en-1-amine is [CH2-]/C=C(\C)CN(CC)CC.[Li+].
What is the InChIKey of lithium (E)-N,N-diethyl-2-methylbut-2-en-1-amine?
The InChIKey is FNIDLCXDJZUVEJ-SZKNIZGXSA-N. The full InChI is InChI=1S/C9H18N.Li/c1-5-9(4)8-10(6-2)7-3;/h5H,1,6-8H2,2-4H3;/q-1;+1/b9-5+;.
What are the key properties of lithium (E)-N,N-diethyl-2-methylbut-2-en-1-amine?
lithium (E)-N,N-diethyl-2-methylbut-2-en-1-amine has a molecular weight of 147.19 g/mol, XLogP of -0.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (E)-N,N-diethyl-2-methylbut-2-en-1-amine is sourced from PubChem (CID 90302365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).