methanidyl-methyl-(2-phenylethyl)azanium;molecular hydrogen

C10H17N — CID 161416091

IUPACmethanidyl-methyl-(2-phenylethyl)azanium;molecular hydrogen
SMILES[CH2-][NH+](C)CCc1ccccc1.[H][H]
InChIInChI=1S/C10H15N.H2/c1-11(2)9-8-10-6-4-3-5-7-10;/h3-7,11H,1,8-9H2,2H3;1H
InChIKeyVWCJZQYOXXSXCS-UHFFFAOYSA-N
MW151.25 g/mol
LogP0.78
Rot. Bonds3

About methanidyl-methyl-(2-phenylethyl)azanium;molecular hydrogen

methanidyl-methyl-(2-phenylethyl)azanium;molecular hydrogen (PubChem CID 161416091) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is methanidyl-methyl-(2-phenylethyl)azanium;molecular hydrogen.

Molecular Properties

Compound Namemethanidyl-methyl-(2-phenylethyl)azanium;molecular hydrogen
PubChem CID161416091
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Namemethanidyl-methyl-(2-phenylethyl)azanium;molecular hydrogen
SMILES[CH2-][NH+](C)CCc1ccccc1.[H][H]
InChIInChI=1S/C10H15N.H2/c1-11(2)9-8-10-6-4-3-5-7-10;/h3-7,11H,1,8-9H2,2H3;1H
InChIKeyVWCJZQYOXXSXCS-UHFFFAOYSA-N
XLogP0.78
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

dimethyl(2-phenylethyl)azanium iodide
CID 172779619
dimethyl(9-phenylnonyl)azanium dichloride
CID 87468123
dimethyl(14-phenyltetradecyl)azanium chloride
CID 70621589
dimethyl(15-phenylpentadecyl)azanium;chloride;dihydrate
CID 70271665
dimethyl(19-phenylnonadecyl)azanium;chloride;hydrate
CID 70269048
benzene;2-phenylethylbenzene
CID 18982764
ethane;methane;2-phenylethylbenzene
CID 158652330
methanidyl-methyl-(3-phenylmethoxypropyl)azanium
CID 155624899
ethyl-methyl-(13-phenyltridecyl)azanium chloride
CID 158524301
hafnium;2-phenylethylbenzene
CID 173109801
N-(2-phenylethyl)heptadecan-1-amine oxide
CID 122612686
N-(2-phenylethyl)undecan-1-amine oxide
CID 122613317

Frequently Asked Questions

What is the IUPAC name of methanidyl-methyl-(2-phenylethyl)azanium;molecular hydrogen?
The IUPAC name of methanidyl-methyl-(2-phenylethyl)azanium;molecular hydrogen (CID 161416091) is methanidyl-methyl-(2-phenylethyl)azanium;molecular hydrogen.
What is the SMILES notation for methanidyl-methyl-(2-phenylethyl)azanium;molecular hydrogen?
The canonical SMILES for methanidyl-methyl-(2-phenylethyl)azanium;molecular hydrogen is [CH2-][NH+](C)CCc1ccccc1.[H][H].
What is the InChIKey of methanidyl-methyl-(2-phenylethyl)azanium;molecular hydrogen?
The InChIKey is VWCJZQYOXXSXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.H2/c1-11(2)9-8-10-6-4-3-5-7-10;/h3-7,11H,1,8-9H2,2H3;1H.
What are the key properties of methanidyl-methyl-(2-phenylethyl)azanium;molecular hydrogen?
methanidyl-methyl-(2-phenylethyl)azanium;molecular hydrogen has a molecular weight of 151.25 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methanidyl-methyl-(2-phenylethyl)azanium;molecular hydrogen is sourced from PubChem (CID 161416091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).