[(2S)-4,4-dimethyl-1-phenylpentan-2-yl]azanium

C13H22N+ — CID 140963970

IUPAC[(2S)-4,4-dimethyl-1-phenylpentan-2-yl]azanium
SMILESCC(C)(C)C[C@H]([NH3+])Cc1ccccc1
InChIInChI=1S/C13H21N/c1-13(2,3)10-12(14)9-11-7-5-4-6-8-11/h4-8,12H,9-10,14H2,1-3H3/p+1/t12-/m1/s1
InChIKeyPXYQDVJNLDUHAB-GFCCVEGCSA-O
MW192.33 g/mol
LogP2.28
Rot. Bonds3

About [(2S)-4,4-dimethyl-1-phenylpentan-2-yl]azanium

[(2S)-4,4-dimethyl-1-phenylpentan-2-yl]azanium (PubChem CID 140963970) has the molecular formula C13H22N+ and a molecular weight of 192.33 g/mol. Its IUPAC name is [(2S)-4,4-dimethyl-1-phenylpentan-2-yl]azanium.

Molecular Properties

Compound Name[(2S)-4,4-dimethyl-1-phenylpentan-2-yl]azanium
PubChem CID140963970
Molecular FormulaC13H22N+
Molecular Weight192.33 g/mol
Exact Mass192.17
IUPAC Name[(2S)-4,4-dimethyl-1-phenylpentan-2-yl]azanium
SMILESCC(C)(C)C[C@H]([NH3+])Cc1ccccc1
InChIInChI=1S/C13H21N/c1-13(2,3)10-12(14)9-11-7-5-4-6-8-11/h4-8,12H,9-10,14H2,1-3H3/p+1/t12-/m1/s1
InChIKeyPXYQDVJNLDUHAB-GFCCVEGCSA-O
XLogP2.28
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-diphenylpropan-2-ylazanium chloride
CID 67842912
methyl-(3,5,5-trimethyl-1-phenylhexan-2-yl)phosphane
CID 138738585
dibenzyl-tert-butyl-(2,2-dimethylpropyl)phosphanium
CID 173031877
N,5,5-trimethyl-1-phenylhexan-3-amine
CID 63889810
2,2-dimethylpropylbenzene;methanol
CID 157125736
2-[2-(1-phenylpropan-2-ylperoxy)propan-2-ylperoxy]propylbenzene
CID 169006233
(2S)-3,3-dimethyl-1-phenylbutan-2-ol
CID 12689722
3,3-dimethyl-1-phenylbutan-2-ol
CID 5051506
(2R)-2-benzyl-N-(3,3-dimethylbutyl)-4,4-dimethylpentanamide
CID 167585610
O-ethyl 2-benzyl-4,4-dimethylpentanethioate
CID 56605697
1,3-diphenylpropan-2-ylsilane
CID 123615026
2,2-dimethylpropane;2,2-dimethylpropylbenzene;2,2,3-trimethylbutane
CID 159235518

Frequently Asked Questions

What is the IUPAC name of [(2S)-4,4-dimethyl-1-phenylpentan-2-yl]azanium?
The IUPAC name of [(2S)-4,4-dimethyl-1-phenylpentan-2-yl]azanium (CID 140963970) is [(2S)-4,4-dimethyl-1-phenylpentan-2-yl]azanium.
What is the SMILES notation for [(2S)-4,4-dimethyl-1-phenylpentan-2-yl]azanium?
The canonical SMILES for [(2S)-4,4-dimethyl-1-phenylpentan-2-yl]azanium is CC(C)(C)C[C@H]([NH3+])Cc1ccccc1.
What is the InChIKey of [(2S)-4,4-dimethyl-1-phenylpentan-2-yl]azanium?
The InChIKey is PXYQDVJNLDUHAB-GFCCVEGCSA-O. The full InChI is InChI=1S/C13H21N/c1-13(2,3)10-12(14)9-11-7-5-4-6-8-11/h4-8,12H,9-10,14H2,1-3H3/p+1/t12-/m1/s1.
What are the key properties of [(2S)-4,4-dimethyl-1-phenylpentan-2-yl]azanium?
[(2S)-4,4-dimethyl-1-phenylpentan-2-yl]azanium has a molecular weight of 192.33 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4,4-dimethyl-1-phenylpentan-2-yl]azanium is sourced from PubChem (CID 140963970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).