[(1R)-3-methyl-1-phenylbutyl]azanium

C11H18N+ — CID 2496574

IUPAC[(1R)-3-methyl-1-phenylbutyl]azanium
SMILESCC(C)C[C@@H]([NH3+])c1ccccc1
InChIInChI=1S/C11H17N/c1-9(2)8-11(12)10-6-4-3-5-7-10/h3-7,9,11H,8,12H2,1-2H3/p+1/t11-/m1/s1
InChIKeyZTLDKBMTEANJRD-LLVKDONJSA-O
MW164.27 g/mol
LogP2.02
Rot. Bonds3

About [(1R)-3-methyl-1-phenylbutyl]azanium

[(1R)-3-methyl-1-phenylbutyl]azanium (PubChem CID 2496574) has the molecular formula C11H18N+ and a molecular weight of 164.27 g/mol. Its IUPAC name is [(1R)-3-methyl-1-phenylbutyl]azanium.

Molecular Properties

Compound Name[(1R)-3-methyl-1-phenylbutyl]azanium
PubChem CID2496574
Molecular FormulaC11H18N+
Molecular Weight164.27 g/mol
Exact Mass164.14
IUPAC Name[(1R)-3-methyl-1-phenylbutyl]azanium
SMILESCC(C)C[C@@H]([NH3+])c1ccccc1
InChIInChI=1S/C11H17N/c1-9(2)8-11(12)10-6-4-3-5-7-10/h3-7,9,11H,8,12H2,1-2H3/p+1/t11-/m1/s1
InChIKeyZTLDKBMTEANJRD-LLVKDONJSA-O
XLogP2.02
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

2,2,5-trimethylhexan-3-ylbenzene
CID 18669937
(1R)-3-methyl-1-phenylbutan-1-amine
CID 2496575
[(1S)-1-phenylethyl]azanium
CID 7855572
[(1R)-2-hydroxy-1-phenylethyl]azanium
CID 6950536
[(Z,3S)-1-chloro-5-methylhex-1-en-3-yl]benzene
CID 134965285
(6-methyl-4-phenylheptan-2-yl)benzene
CID 174190180
(3-methyl-1-naphthalen-1-ylbutyl)azanium chloride
CID 121438347
(4R)-2-methyl-6-phenylheptan-4-ol
CID 135043417
(1R,2R)-4-methyl-1,2-diphenylpentan-1-ol
CID 6976778
(2,6-dimethyl-4-propan-2-ylheptan-3-yl)benzene
CID 140816676
N-tert-butyl-4-methyl-2-phenylpentan-1-amine
CID 65429499
(3-chloro-2,6-dimethylheptan-4-yl)benzene
CID 79298558

Frequently Asked Questions

What is the IUPAC name of [(1R)-3-methyl-1-phenylbutyl]azanium?
The IUPAC name of [(1R)-3-methyl-1-phenylbutyl]azanium (CID 2496574) is [(1R)-3-methyl-1-phenylbutyl]azanium.
What is the SMILES notation for [(1R)-3-methyl-1-phenylbutyl]azanium?
The canonical SMILES for [(1R)-3-methyl-1-phenylbutyl]azanium is CC(C)C[C@@H]([NH3+])c1ccccc1.
What is the InChIKey of [(1R)-3-methyl-1-phenylbutyl]azanium?
The InChIKey is ZTLDKBMTEANJRD-LLVKDONJSA-O. The full InChI is InChI=1S/C11H17N/c1-9(2)8-11(12)10-6-4-3-5-7-10/h3-7,9,11H,8,12H2,1-2H3/p+1/t11-/m1/s1.
What are the key properties of [(1R)-3-methyl-1-phenylbutyl]azanium?
[(1R)-3-methyl-1-phenylbutyl]azanium has a molecular weight of 164.27 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-3-methyl-1-phenylbutyl]azanium is sourced from PubChem (CID 2496574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).