lithium pentan-3-yl-[(1S)-1-phenylethyl]azanide

C13H20LiN — CID 102301951

IUPAClithium pentan-3-yl-[(1S)-1-phenylethyl]azanide
SMILESCCC(CC)[N-][C@@H](C)c1ccccc1.[Li+]
InChIInChI=1S/C13H20N.Li/c1-4-13(5-2)14-11(3)12-9-7-6-8-10-12;/h6-11,13H,4-5H2,1-3H3;/q-1;+1/t11-;/m0./s1
InChIKeyLFZWESMOEKJVIU-MERQFXBCSA-N
MW197.25 g/mol
LogP1.31
Rot. Bonds5

About lithium pentan-3-yl-[(1S)-1-phenylethyl]azanide

lithium pentan-3-yl-[(1S)-1-phenylethyl]azanide (PubChem CID 102301951) has the molecular formula C13H20LiN and a molecular weight of 197.25 g/mol. Its IUPAC name is lithium pentan-3-yl-[(1S)-1-phenylethyl]azanide.

Molecular Properties

Compound Namelithium pentan-3-yl-[(1S)-1-phenylethyl]azanide
PubChem CID102301951
Molecular FormulaC13H20LiN
Molecular Weight197.25 g/mol
Exact Mass197.18
IUPAC Namelithium pentan-3-yl-[(1S)-1-phenylethyl]azanide
SMILESCCC(CC)[N-][C@@H](C)c1ccccc1.[Li+]
InChIInChI=1S/C13H20N.Li/c1-4-13(5-2)14-11(3)12-9-7-6-8-10-12;/h6-11,13H,4-5H2,1-3H3;/q-1;+1/t11-;/m0./s1
InChIKeyLFZWESMOEKJVIU-MERQFXBCSA-N
XLogP1.31
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

dilithium;bis[(1R)-1-phenylethyl]azanide;bromide
CID 135082056
lithium [(1S)-2-ethoxy-1-phenylethyl]-pentan-3-ylazanide
CID 101174321
ethanamine;1-phenylethylbenzene
CID 19985218
lithium [(1S)-1-phenylethyl]-prop-2-enylazanide
CID 10899068
lithium 1-phenylethyl-(1-phenyl-2-piperidin-1-ylethyl)azanide
CID 132604880
[(2R,3S)-3-methylpentan-2-yl]benzene
CID 142488362
(1S)-1-phenylpropan-1-amine;hydrochloride
CID 44542268
bis(trimethylsilyl)azanide;lutetium;bis(1-phenylethyl-[phenyl(1-phenylethylazanidyl)methyl]azanide)
CID 135002385
azane;pentan-3-ylbenzene
CID 19774895
cumene;2-methylpropane;propane
CID 158125037
magnesium bis(benzyl-[(1R)-1-phenylethyl]azanide)
CID 10895557
(1S,2R)-1-phenylbutane-1,2-diamine
CID 10702186

Frequently Asked Questions

What is the IUPAC name of lithium pentan-3-yl-[(1S)-1-phenylethyl]azanide?
The IUPAC name of lithium pentan-3-yl-[(1S)-1-phenylethyl]azanide (CID 102301951) is lithium pentan-3-yl-[(1S)-1-phenylethyl]azanide.
What is the SMILES notation for lithium pentan-3-yl-[(1S)-1-phenylethyl]azanide?
The canonical SMILES for lithium pentan-3-yl-[(1S)-1-phenylethyl]azanide is CCC(CC)[N-][C@@H](C)c1ccccc1.[Li+].
What is the InChIKey of lithium pentan-3-yl-[(1S)-1-phenylethyl]azanide?
The InChIKey is LFZWESMOEKJVIU-MERQFXBCSA-N. The full InChI is InChI=1S/C13H20N.Li/c1-4-13(5-2)14-11(3)12-9-7-6-8-10-12;/h6-11,13H,4-5H2,1-3H3;/q-1;+1/t11-;/m0./s1.
What are the key properties of lithium pentan-3-yl-[(1S)-1-phenylethyl]azanide?
lithium pentan-3-yl-[(1S)-1-phenylethyl]azanide has a molecular weight of 197.25 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium pentan-3-yl-[(1S)-1-phenylethyl]azanide is sourced from PubChem (CID 102301951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).