lithium;di(propan-2-yl)azanide;1-methylpiperidine

C12H27LiN2 — CID 141131230

IUPAClithium;di(propan-2-yl)azanide;1-methylpiperidine
SMILESCC(C)[N-]C(C)C.CN1CCCCC1.[Li+]
InChIInChI=1S/C6H13N.C6H14N.Li/c1-7-5-3-2-4-6-7;1-5(2)7-6(3)4;/h2-6H2,1H3;5-6H,1-4H3;/q;-1;+1
InChIKeyCVKLMZXXDVIWAX-UHFFFAOYSA-N
MW206.30 g/mol
LogP0.28
Rot. Bonds2

About lithium;di(propan-2-yl)azanide;1-methylpiperidine

lithium;di(propan-2-yl)azanide;1-methylpiperidine (PubChem CID 141131230) has the molecular formula C12H27LiN2 and a molecular weight of 206.30 g/mol. Its IUPAC name is lithium;di(propan-2-yl)azanide;1-methylpiperidine.

Molecular Properties

Compound Namelithium;di(propan-2-yl)azanide;1-methylpiperidine
PubChem CID141131230
Molecular FormulaC12H27LiN2
Molecular Weight206.30 g/mol
Exact Mass206.23
IUPAC Namelithium;di(propan-2-yl)azanide;1-methylpiperidine
SMILESCC(C)[N-]C(C)C.CN1CCCCC1.[Li+]
InChIInChI=1S/C6H13N.C6H14N.Li/c1-7-5-3-2-4-6-7;1-5(2)7-6(3)4;/h2-6H2,1H3;5-6H,1-4H3;/q;-1;+1
InChIKeyCVKLMZXXDVIWAX-UHFFFAOYSA-N
XLogP0.28
TPSA17.34 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.30
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of lithium;di(propan-2-yl)azanide;1-methylpiperidine?
The IUPAC name of lithium;di(propan-2-yl)azanide;1-methylpiperidine (CID 141131230) is lithium;di(propan-2-yl)azanide;1-methylpiperidine.
What is the SMILES notation for lithium;di(propan-2-yl)azanide;1-methylpiperidine?
The canonical SMILES for lithium;di(propan-2-yl)azanide;1-methylpiperidine is CC(C)[N-]C(C)C.CN1CCCCC1.[Li+].
What is the InChIKey of lithium;di(propan-2-yl)azanide;1-methylpiperidine?
The InChIKey is CVKLMZXXDVIWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C6H14N.Li/c1-7-5-3-2-4-6-7;1-5(2)7-6(3)4;/h2-6H2,1H3;5-6H,1-4H3;/q;-1;+1.
What are the key properties of lithium;di(propan-2-yl)azanide;1-methylpiperidine?
lithium;di(propan-2-yl)azanide;1-methylpiperidine has a molecular weight of 206.30 g/mol, XLogP of 0.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;di(propan-2-yl)azanide;1-methylpiperidine is sourced from PubChem (CID 141131230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).