methanidyl-[[4-(2-methylpropyl)phenyl]methyl]azanium

C12H19N — CID 89077917

IUPACmethanidyl-[[4-(2-methylpropyl)phenyl]methyl]azanium
SMILES[CH2-][NH2+]Cc1ccc(CC(C)C)cc1
InChIInChI=1S/C12H19N/c1-10(2)8-11-4-6-12(7-5-11)9-13-3/h4-7,10H,3,8-9,13H2,1-2H3
InChIKeyYIVRFTXADJDUSS-UHFFFAOYSA-N
MW177.29 g/mol
LogP1.74
Rot. Bonds4

About methanidyl-[[4-(2-methylpropyl)phenyl]methyl]azanium

methanidyl-[[4-(2-methylpropyl)phenyl]methyl]azanium (PubChem CID 89077917) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is methanidyl-[[4-(2-methylpropyl)phenyl]methyl]azanium.

Molecular Properties

Compound Namemethanidyl-[[4-(2-methylpropyl)phenyl]methyl]azanium
PubChem CID89077917
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Namemethanidyl-[[4-(2-methylpropyl)phenyl]methyl]azanium
SMILES[CH2-][NH2+]Cc1ccc(CC(C)C)cc1
InChIInChI=1S/C12H19N/c1-10(2)8-11-4-6-12(7-5-11)9-13-3/h4-7,10H,3,8-9,13H2,1-2H3
InChIKeyYIVRFTXADJDUSS-UHFFFAOYSA-N
XLogP1.74
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 51.74
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-(2-methylpropyl)-4-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene
CID 11044622
[4-(2-methylpropyl)phenyl]methylphosphane
CID 69020974
ethane;4-(2-methylpropyl)benzenethiol
CID 143751683
1-[4-(2-methylpropyl)phenyl]-N-[[4-(2-methylpropyl)phenyl]methyl]methanamine
CID 101376934
1-ethyl-4-(2-methylpropyl)benzene;methane;propane
CID 154659572
ethane;2-methylpropylbenzene
CID 162200929
1-(methoxymethyl)-4-[4-(2-methylpropyl)phenyl]benzene
CID 149288523
N-methyl-4-[4-(2-methylpropyl)phenyl]aniline
CID 116962445
ethane;methane;1-(2-methylpropyl)-4-propan-2-ylbenzene
CID 144724990
1-(2-methylpropyl)-4-(2-phenylethyl)benzene
CID 56625667
1-(2-methylpropyl)-4-(propan-2-ylsulfanylmethyl)benzene
CID 147950088
1-[(2S)-1-bromopropan-2-yl]-4-(2-methylpropyl)benzene
CID 11043315

Frequently Asked Questions

What is the IUPAC name of methanidyl-[[4-(2-methylpropyl)phenyl]methyl]azanium?
The IUPAC name of methanidyl-[[4-(2-methylpropyl)phenyl]methyl]azanium (CID 89077917) is methanidyl-[[4-(2-methylpropyl)phenyl]methyl]azanium.
What is the SMILES notation for methanidyl-[[4-(2-methylpropyl)phenyl]methyl]azanium?
The canonical SMILES for methanidyl-[[4-(2-methylpropyl)phenyl]methyl]azanium is [CH2-][NH2+]Cc1ccc(CC(C)C)cc1.
What is the InChIKey of methanidyl-[[4-(2-methylpropyl)phenyl]methyl]azanium?
The InChIKey is YIVRFTXADJDUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-10(2)8-11-4-6-12(7-5-11)9-13-3/h4-7,10H,3,8-9,13H2,1-2H3.
What are the key properties of methanidyl-[[4-(2-methylpropyl)phenyl]methyl]azanium?
methanidyl-[[4-(2-methylpropyl)phenyl]methyl]azanium has a molecular weight of 177.29 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methanidyl-[[4-(2-methylpropyl)phenyl]methyl]azanium is sourced from PubChem (CID 89077917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).