bis[(2S)-butan-2-yl]-dimethylazanium

C10H24N+ — CID 139205982

IUPACbis[(2S)-butan-2-yl]-dimethylazanium
SMILESCC[C@H](C)[N+](C)(C)[C@@H](C)CC
InChIInChI=1S/C10H24N/c1-7-9(3)11(5,6)10(4)8-2/h9-10H,7-8H2,1-6H3/q+1/t9-,10-/m0/s1
InChIKeyUTSFKEYDHIMCBY-UWVGGRQHSA-N
MW158.31 g/mol
LogP2.66
Rot. Bonds4

About bis[(2S)-butan-2-yl]-dimethylazanium

bis[(2S)-butan-2-yl]-dimethylazanium (PubChem CID 139205982) has the molecular formula C10H24N+ and a molecular weight of 158.31 g/mol. Its IUPAC name is bis[(2S)-butan-2-yl]-dimethylazanium.

Molecular Properties

Compound Namebis[(2S)-butan-2-yl]-dimethylazanium
PubChem CID139205982
Molecular FormulaC10H24N+
Molecular Weight158.31 g/mol
Exact Mass158.19
IUPAC Namebis[(2S)-butan-2-yl]-dimethylazanium
SMILESCC[C@H](C)[N+](C)(C)[C@@H](C)CC
InChIInChI=1S/C10H24N/c1-7-9(3)11(5,6)10(4)8-2/h9-10H,7-8H2,1-6H3/q+1/t9-,10-/m0/s1
InChIKeyUTSFKEYDHIMCBY-UWVGGRQHSA-N
XLogP2.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.31
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

butan-2-yl-methoxy-dimethylazanium
CID 90736856
2-methylbutane
CID 158117812
2-methylbutane
CID 159175971
methyl-(2-methylbutyl)-dipropylazanium
CID 139247008
bis(butan-2-ol);carbanide;tantalum
CID 22416357
bis[diethyl(methyl)azaniumyl]methyl-diethyl-methylazanium
CID 59309138
methane;trimethyl(2-methylbutyl)azanium
CID 162147033
ethyl-dimethyl-propan-2-yloxyazanium
CID 175365440
trimethyl(2-methylbutyl)azanium chloride
CID 159075449
2-methylbutane;yttrium
CID 157105537
2-methylbutane;nickel
CID 159021520
di(butan-2-yl)alumanylium iodide
CID 18688218

Frequently Asked Questions

What is the IUPAC name of bis[(2S)-butan-2-yl]-dimethylazanium?
The IUPAC name of bis[(2S)-butan-2-yl]-dimethylazanium (CID 139205982) is bis[(2S)-butan-2-yl]-dimethylazanium.
What is the SMILES notation for bis[(2S)-butan-2-yl]-dimethylazanium?
The canonical SMILES for bis[(2S)-butan-2-yl]-dimethylazanium is CC[C@H](C)[N+](C)(C)[C@@H](C)CC.
What is the InChIKey of bis[(2S)-butan-2-yl]-dimethylazanium?
The InChIKey is UTSFKEYDHIMCBY-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H24N/c1-7-9(3)11(5,6)10(4)8-2/h9-10H,7-8H2,1-6H3/q+1/t9-,10-/m0/s1.
What are the key properties of bis[(2S)-butan-2-yl]-dimethylazanium?
bis[(2S)-butan-2-yl]-dimethylazanium has a molecular weight of 158.31 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(2S)-butan-2-yl]-dimethylazanium is sourced from PubChem (CID 139205982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).