[(2S)-2-cyclohexyl-2-phenylethyl]azanium

C14H22N+ — CID 6985274

IUPAC[(2S)-2-cyclohexyl-2-phenylethyl]azanium
SMILES[NH3+]C[C@H](c1ccccc1)C1CCCCC1
InChIInChI=1S/C14H21N/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1,3-4,7-8,13-14H,2,5-6,9-11,15H2/p+1/t14-/m1/s1
InChIKeyRDHLDAJFFHIZAT-CQSZACIVSA-O
MW204.34 g/mol
LogP2.59
Rot. Bonds3

About [(2S)-2-cyclohexyl-2-phenylethyl]azanium

[(2S)-2-cyclohexyl-2-phenylethyl]azanium (PubChem CID 6985274) has the molecular formula C14H22N+ and a molecular weight of 204.34 g/mol. Its IUPAC name is [(2S)-2-cyclohexyl-2-phenylethyl]azanium.

Molecular Properties

Compound Name[(2S)-2-cyclohexyl-2-phenylethyl]azanium
PubChem CID6985274
Molecular FormulaC14H22N+
Molecular Weight204.34 g/mol
Exact Mass204.17
IUPAC Name[(2S)-2-cyclohexyl-2-phenylethyl]azanium
SMILES[NH3+]C[C@H](c1ccccc1)C1CCCCC1
InChIInChI=1S/C14H21N/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1,3-4,7-8,13-14H,2,5-6,9-11,15H2/p+1/t14-/m1/s1
InChIKeyRDHLDAJFFHIZAT-CQSZACIVSA-O
XLogP2.59
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

(2-cyclopentyl-2-phenylethyl)phosphane
CID 57243650
(2-chloro-1-cyclopentylethyl)benzene
CID 79019868
2-cycloheptyl-N-methyl-2-phenylethanamine
CID 82934094
3-cyclopentyl-3-phenylpropan-1-ol
CID 57047034
2-cyclobutyl-2-phenylethanamine;hydrochloride
CID 155858547
N-(2-cyclopentyl-2-phenylethyl)-2-methylpropan-1-amine
CID 82934095
ethyl (3S)-3-cyclohexyl-3-phenylpropanoate
CID 125468052
N-[(2R)-2-cyclohexyl-2-phenylethyl]butan-1-amine
CID 125466458
(R)-cycloheptyl(phenyl)methanol
CID 94502427
(2-bromo-1-cyclopropylethyl)benzene
CID 57168506
cyclohexyl(phenyl)methanamine
CID 11064121
(2S)-2-cyclohexyl-2-phenylacetonitrile
CID 6992167

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-cyclohexyl-2-phenylethyl]azanium?
The IUPAC name of [(2S)-2-cyclohexyl-2-phenylethyl]azanium (CID 6985274) is [(2S)-2-cyclohexyl-2-phenylethyl]azanium.
What is the SMILES notation for [(2S)-2-cyclohexyl-2-phenylethyl]azanium?
The canonical SMILES for [(2S)-2-cyclohexyl-2-phenylethyl]azanium is [NH3+]C[C@H](c1ccccc1)C1CCCCC1.
What is the InChIKey of [(2S)-2-cyclohexyl-2-phenylethyl]azanium?
The InChIKey is RDHLDAJFFHIZAT-CQSZACIVSA-O. The full InChI is InChI=1S/C14H21N/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1,3-4,7-8,13-14H,2,5-6,9-11,15H2/p+1/t14-/m1/s1.
What are the key properties of [(2S)-2-cyclohexyl-2-phenylethyl]azanium?
[(2S)-2-cyclohexyl-2-phenylethyl]azanium has a molecular weight of 204.34 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-cyclohexyl-2-phenylethyl]azanium is sourced from PubChem (CID 6985274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).