[(2S)-4-methylpentan-2-yl]azanium

C6H16N+ — CID 6994057

IUPAC[(2S)-4-methylpentan-2-yl]azanium
SMILESCC(C)C[C@H](C)[NH3+]
InChIInChI=1S/C6H15N/c1-5(2)4-6(3)7/h5-6H,4,7H2,1-3H3/p+1/t6-/m0/s1
InChIKeyUNBMPKNTYKDYCG-LURJTMIESA-O
MW102.20 g/mol
LogP0.66
Rot. Bonds2

About [(2S)-4-methylpentan-2-yl]azanium

[(2S)-4-methylpentan-2-yl]azanium (PubChem CID 6994057) has the molecular formula C6H16N+ and a molecular weight of 102.20 g/mol. Its IUPAC name is [(2S)-4-methylpentan-2-yl]azanium.

Molecular Properties

Compound Name[(2S)-4-methylpentan-2-yl]azanium
PubChem CID6994057
Molecular FormulaC6H16N+
Molecular Weight102.20 g/mol
Exact Mass102.13
IUPAC Name[(2S)-4-methylpentan-2-yl]azanium
SMILESCC(C)C[C@H](C)[NH3+]
InChIInChI=1S/C6H15N/c1-5(2)4-6(3)7/h5-6H,4,7H2,1-3H3/p+1/t6-/m0/s1
InChIKeyUNBMPKNTYKDYCG-LURJTMIESA-O
XLogP0.66
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.20
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

2,4-dimethylpentane
CID 157050020
2,4-dimethylpentane;methane
CID 159476318
[(2R,4S)-4-methylhexan-2-yl]azanium
CID 36688718
[(2R)-1-hydroxy-4-methylpentan-2-yl]azanium
CID 6950465
acetylene;2,4-dimethylpentane
CID 167651238
[(3R)-1-hydroxy-5-methyl-2-oxohexan-3-yl]azanium chloride
CID 11446703
(4R,8R)-2,4,6,8,10-pentamethylundecane
CID 134836322
2,4,6,8,10,12,14,16,18,20-decamethylhenicosane
CID 123384520
[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]azanium
CID 7271814
propan-2-ylazanium
CID 3364502
bis(2,4-dimethylpentane);propane;tungsten(2+)
CID 157303030
acetylene;2,4,6-trimethylheptane
CID 144531255

Frequently Asked Questions

What is the IUPAC name of [(2S)-4-methylpentan-2-yl]azanium?
The IUPAC name of [(2S)-4-methylpentan-2-yl]azanium (CID 6994057) is [(2S)-4-methylpentan-2-yl]azanium.
What is the SMILES notation for [(2S)-4-methylpentan-2-yl]azanium?
The canonical SMILES for [(2S)-4-methylpentan-2-yl]azanium is CC(C)C[C@H](C)[NH3+].
What is the InChIKey of [(2S)-4-methylpentan-2-yl]azanium?
The InChIKey is UNBMPKNTYKDYCG-LURJTMIESA-O. The full InChI is InChI=1S/C6H15N/c1-5(2)4-6(3)7/h5-6H,4,7H2,1-3H3/p+1/t6-/m0/s1.
What are the key properties of [(2S)-4-methylpentan-2-yl]azanium?
[(2S)-4-methylpentan-2-yl]azanium has a molecular weight of 102.20 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-methylpentan-2-yl]azanium is sourced from PubChem (CID 6994057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).