benzyl-[(2S)-butan-2-yl]azanium

C11H18N+ — CID 2462862

IUPACbenzyl-[(2S)-butan-2-yl]azanium
SMILESCC[C@H](C)[NH2+]Cc1ccccc1
InChIInChI=1S/C11H17N/c1-3-10(2)12-9-11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3/p+1/t10-/m0/s1
InChIKeyCVBZQAJYUZEPMC-JTQLQIEISA-O
MW164.27 g/mol
LogP1.55
Rot. Bonds4

About benzyl-[(2S)-butan-2-yl]azanium

benzyl-[(2S)-butan-2-yl]azanium (PubChem CID 2462862) has the molecular formula C11H18N+ and a molecular weight of 164.27 g/mol. Its IUPAC name is benzyl-[(2S)-butan-2-yl]azanium.

Molecular Properties

Compound Namebenzyl-[(2S)-butan-2-yl]azanium
PubChem CID2462862
Molecular FormulaC11H18N+
Molecular Weight164.27 g/mol
Exact Mass164.14
IUPAC Namebenzyl-[(2S)-butan-2-yl]azanium
SMILESCC[C@H](C)[NH2+]Cc1ccccc1
InChIInChI=1S/C11H17N/c1-3-10(2)12-9-11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3/p+1/t10-/m0/s1
InChIKeyCVBZQAJYUZEPMC-JTQLQIEISA-O
XLogP1.55
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

(3R)-3-(benzylazaniumyl)butanoate
CID 7015141
benzyl-[(1R,2R)-1-cyano-2-methylbutyl]azanium chloride
CID 10752468
(4-methoxyphenyl)methyl-[(2R)-1-phenylpropan-2-yl]azanium
CID 7045470
[(2R)-butan-2-yl]-[(5-phenylfuran-2-yl)methyl]azanium
CID 8621940
(2S,3S)-2-(benzylazaniumyl)-3-methylpentanoate
CID 6994932
methyl(1-phenylpropan-2-yl)azanium
CID 5250834
(4-ethylphenyl)methyl-[(1R)-1-phenylethyl]azanium
CID 7994193
[(2R)-butan-2-yl]-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium
CID 7827012
[(2S)-2-ethyl-3-methylbutyl]benzene
CID 59911229
hydrogen peroxide;1-phenylbutan-2-ylbenzene
CID 19777291
ethane;(2-ethyl-3-methylbutyl)benzene
CID 166139706
benzyl-[(1S)-2,2,2-trichloro-1-(2-methylpropanoylamino)ethyl]azanium
CID 7024507

Frequently Asked Questions

What is the IUPAC name of benzyl-[(2S)-butan-2-yl]azanium?
The IUPAC name of benzyl-[(2S)-butan-2-yl]azanium (CID 2462862) is benzyl-[(2S)-butan-2-yl]azanium.
What is the SMILES notation for benzyl-[(2S)-butan-2-yl]azanium?
The canonical SMILES for benzyl-[(2S)-butan-2-yl]azanium is CC[C@H](C)[NH2+]Cc1ccccc1.
What is the InChIKey of benzyl-[(2S)-butan-2-yl]azanium?
The InChIKey is CVBZQAJYUZEPMC-JTQLQIEISA-O. The full InChI is InChI=1S/C11H17N/c1-3-10(2)12-9-11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3/p+1/t10-/m0/s1.
What are the key properties of benzyl-[(2S)-butan-2-yl]azanium?
benzyl-[(2S)-butan-2-yl]azanium has a molecular weight of 164.27 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[(2S)-butan-2-yl]azanium is sourced from PubChem (CID 2462862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).