lithium 1-propylazonane

C11H22LiN — CID 90301986

IUPAClithium 1-propylazonane
SMILES[CH2-]CCN1CCCCCCCC1.[Li+]
InChIInChI=1S/C11H22N.Li/c1-2-9-12-10-7-5-3-4-6-8-11-12;/h1-11H2;/q-1;+1
InChIKeyYRGPNYWEOFODLF-UHFFFAOYSA-N
MW175.24 g/mol
LogP-0.13
Rot. Bonds2

About lithium 1-propylazonane

lithium 1-propylazonane (PubChem CID 90301986) has the molecular formula C11H22LiN and a molecular weight of 175.24 g/mol. Its IUPAC name is lithium 1-propylazonane.

Molecular Properties

Compound Namelithium 1-propylazonane
PubChem CID90301986
Molecular FormulaC11H22LiN
Molecular Weight175.24 g/mol
Exact Mass175.19
IUPAC Namelithium 1-propylazonane
SMILES[CH2-]CCN1CCCCCCCC1.[Li+]
InChIInChI=1S/C11H22N.Li/c1-2-9-12-10-7-5-3-4-6-8-11-12;/h1-11H2;/q-1;+1
InChIKeyYRGPNYWEOFODLF-UHFFFAOYSA-N
XLogP-0.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.24
LogP ≤ 5-0.13
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 1-propylazonane?
The IUPAC name of lithium 1-propylazonane (CID 90301986) is lithium 1-propylazonane.
What is the SMILES notation for lithium 1-propylazonane?
The canonical SMILES for lithium 1-propylazonane is [CH2-]CCN1CCCCCCCC1.[Li+].
What is the InChIKey of lithium 1-propylazonane?
The InChIKey is YRGPNYWEOFODLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N.Li/c1-2-9-12-10-7-5-3-4-6-8-11-12;/h1-11H2;/q-1;+1.
What are the key properties of lithium 1-propylazonane?
lithium 1-propylazonane has a molecular weight of 175.24 g/mol, XLogP of -0.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-propylazonane is sourced from PubChem (CID 90301986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).