methanidyl-methyl-[(2-methylphenyl)methyl]azanium

C10H15N — CID 59280601

IUPACmethanidyl-methyl-[(2-methylphenyl)methyl]azanium
SMILES[CH2-][NH+](C)Cc1ccccc1C
InChIInChI=1S/C10H15N/c1-9-6-4-5-7-10(9)8-11(2)3/h4-7,11H,2,8H2,1,3H3
InChIKeyNWPACCDSYIUBPG-UHFFFAOYSA-N
MW149.24 g/mol
LogP0.80
Rot. Bonds2

About methanidyl-methyl-[(2-methylphenyl)methyl]azanium

methanidyl-methyl-[(2-methylphenyl)methyl]azanium (PubChem CID 59280601) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is methanidyl-methyl-[(2-methylphenyl)methyl]azanium.

Molecular Properties

Compound Namemethanidyl-methyl-[(2-methylphenyl)methyl]azanium
PubChem CID59280601
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Namemethanidyl-methyl-[(2-methylphenyl)methyl]azanium
SMILES[CH2-][NH+](C)Cc1ccccc1C
InChIInChI=1S/C10H15N/c1-9-6-4-5-7-10(9)8-11(2)3/h4-7,11H,2,8H2,1,3H3
InChIKeyNWPACCDSYIUBPG-UHFFFAOYSA-N
XLogP0.80
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 50.80
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

1-(chloromethyl)-2-methylbenzene
CID 11093
N,N-dimethyl-1-(2-methylphenyl)methanamine oxide
CID 134893793
1-methyl-2-[18-(2-methylphenyl)octadecyl]benzene
CID 22919877
ethane;(2-methylphenyl)methanethiol
CID 142152334
CID 88723030
CID 88723030
(2-methylphenyl)methylazanium chloride
CID 26942
ethanethial;(2-methylphenyl)methanamine
CID 143288844
2-(2-methylphenyl)acetic acid
CID 67440217
CID 57429570
CID 57429570
CID 140700178
CID 140700178
CID 165401665
CID 165401665
1-(2,2-dimethylpropyl)-2-methylbenzene
CID 21464495

Frequently Asked Questions

What is the IUPAC name of methanidyl-methyl-[(2-methylphenyl)methyl]azanium?
The IUPAC name of methanidyl-methyl-[(2-methylphenyl)methyl]azanium (CID 59280601) is methanidyl-methyl-[(2-methylphenyl)methyl]azanium.
What is the SMILES notation for methanidyl-methyl-[(2-methylphenyl)methyl]azanium?
The canonical SMILES for methanidyl-methyl-[(2-methylphenyl)methyl]azanium is [CH2-][NH+](C)Cc1ccccc1C.
What is the InChIKey of methanidyl-methyl-[(2-methylphenyl)methyl]azanium?
The InChIKey is NWPACCDSYIUBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-9-6-4-5-7-10(9)8-11(2)3/h4-7,11H,2,8H2,1,3H3.
What are the key properties of methanidyl-methyl-[(2-methylphenyl)methyl]azanium?
methanidyl-methyl-[(2-methylphenyl)methyl]azanium has a molecular weight of 149.24 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methanidyl-methyl-[(2-methylphenyl)methyl]azanium is sourced from PubChem (CID 59280601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).