lithium 2-methyl-N-[(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)methyl]propan-2-amine

C14H24LiN — CID 87899248

IUPAClithium 2-methyl-N-[(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)methyl]propan-2-amine
SMILESCC1=[C-]C(C)(CNC(C)(C)C)C(C)=C1C.[Li+]
InChIInChI=1S/C14H24N.Li/c1-10-8-14(7,12(3)11(10)2)9-15-13(4,5)6;/h15H,9H2,1-7H3;/q-1;+1
InChIKeyAGPGAPXJENLRKL-UHFFFAOYSA-N
MW213.29 g/mol
LogP0.48
Rot. Bonds2

About lithium 2-methyl-N-[(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)methyl]propan-2-amine

lithium 2-methyl-N-[(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)methyl]propan-2-amine (PubChem CID 87899248) has the molecular formula C14H24LiN and a molecular weight of 213.29 g/mol. Its IUPAC name is lithium 2-methyl-N-[(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)methyl]propan-2-amine.

Molecular Properties

Compound Namelithium 2-methyl-N-[(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)methyl]propan-2-amine
PubChem CID87899248
Molecular FormulaC14H24LiN
Molecular Weight213.29 g/mol
Exact Mass213.21
IUPAC Namelithium 2-methyl-N-[(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)methyl]propan-2-amine
SMILESCC1=[C-]C(C)(CNC(C)(C)C)C(C)=C1C.[Li+]
InChIInChI=1S/C14H24N.Li/c1-10-8-14(7,12(3)11(10)2)9-15-13(4,5)6;/h15H,9H2,1-7H3;/q-1;+1
InChIKeyAGPGAPXJENLRKL-UHFFFAOYSA-N
XLogP0.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.29
LogP ≤ 50.48
H-Bond Donors ≤ 51
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 2-methyl-N-[(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)methyl]propan-2-amine?
The IUPAC name of lithium 2-methyl-N-[(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)methyl]propan-2-amine (CID 87899248) is lithium 2-methyl-N-[(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)methyl]propan-2-amine.
What is the SMILES notation for lithium 2-methyl-N-[(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)methyl]propan-2-amine?
The canonical SMILES for lithium 2-methyl-N-[(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)methyl]propan-2-amine is CC1=[C-]C(C)(CNC(C)(C)C)C(C)=C1C.[Li+].
What is the InChIKey of lithium 2-methyl-N-[(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)methyl]propan-2-amine?
The InChIKey is AGPGAPXJENLRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N.Li/c1-10-8-14(7,12(3)11(10)2)9-15-13(4,5)6;/h15H,9H2,1-7H3;/q-1;+1.
What are the key properties of lithium 2-methyl-N-[(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)methyl]propan-2-amine?
lithium 2-methyl-N-[(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)methyl]propan-2-amine has a molecular weight of 213.29 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-methyl-N-[(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)methyl]propan-2-amine is sourced from PubChem (CID 87899248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).