[(2R)-butan-2-yl]-methyl-methylideneazanium

C6H14N+ — CID 148928636

IUPAC[(2R)-butan-2-yl]-methyl-methylideneazanium
SMILESC=[N+](C)[C@H](C)CC
InChIInChI=1S/C6H14N/c1-5-6(2)7(3)4/h6H,3,5H2,1-2,4H3/q+1/t6-/m1/s1
InChIKeyPLMMXHRDZKJSHH-ZCFIWIBFSA-N
MW100.18 g/mol
LogP1.13
Rot. Bonds2

About [(2R)-butan-2-yl]-methyl-methylideneazanium

[(2R)-butan-2-yl]-methyl-methylideneazanium (PubChem CID 148928636) has the molecular formula C6H14N+ and a molecular weight of 100.18 g/mol. Its IUPAC name is [(2R)-butan-2-yl]-methyl-methylideneazanium.

Molecular Properties

Compound Name[(2R)-butan-2-yl]-methyl-methylideneazanium
PubChem CID148928636
Molecular FormulaC6H14N+
Molecular Weight100.18 g/mol
Exact Mass100.11
IUPAC Name[(2R)-butan-2-yl]-methyl-methylideneazanium
SMILESC=[N+](C)[C@H](C)CC
InChIInChI=1S/C6H14N/c1-5-6(2)7(3)4/h6H,3,5H2,1-2,4H3/q+1/t6-/m1/s1
InChIKeyPLMMXHRDZKJSHH-ZCFIWIBFSA-N
XLogP1.13
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.18
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

hex-5-en-2-yl-methyl-methylideneazanium
CID 123858998
methyl-methylidene-(3-methylpentyl)azanium
CID 123886397
2-methylbutane
CID 158117812
2-methylbutane
CID 159175971
(2-ethyl-2,5-dimethyl-3-methylideneheptyl)-methyl-methylideneazanium
CID 123169756
3,5-dimethylheptane;ethane
CID 172617343
ethane;ethene;2-methylbutane;propane
CID 142006499
2-methylbutane;yttrium
CID 157105537
2-methylbutane;nickel
CID 159021520
undecane-3,6,9-triol
CID 57025994
tetradecane-3,6,9,12-tetrol
CID 57081340
(4S)-2,4-dimethylhexane
CID 22810193

Frequently Asked Questions

What is the IUPAC name of [(2R)-butan-2-yl]-methyl-methylideneazanium?
The IUPAC name of [(2R)-butan-2-yl]-methyl-methylideneazanium (CID 148928636) is [(2R)-butan-2-yl]-methyl-methylideneazanium.
What is the SMILES notation for [(2R)-butan-2-yl]-methyl-methylideneazanium?
The canonical SMILES for [(2R)-butan-2-yl]-methyl-methylideneazanium is C=[N+](C)[C@H](C)CC.
What is the InChIKey of [(2R)-butan-2-yl]-methyl-methylideneazanium?
The InChIKey is PLMMXHRDZKJSHH-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H14N/c1-5-6(2)7(3)4/h6H,3,5H2,1-2,4H3/q+1/t6-/m1/s1.
What are the key properties of [(2R)-butan-2-yl]-methyl-methylideneazanium?
[(2R)-butan-2-yl]-methyl-methylideneazanium has a molecular weight of 100.18 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-butan-2-yl]-methyl-methylideneazanium is sourced from PubChem (CID 148928636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).