methanidyl-methyl-(3-phenylmethoxypropyl)azanium

C12H19NO — CID 155624899

IUPACmethanidyl-methyl-(3-phenylmethoxypropyl)azanium
SMILES[CH2-][NH+](C)CCCOCc1ccccc1
InChIInChI=1S/C12H19NO/c1-13(2)9-6-10-14-11-12-7-4-3-5-8-12/h3-5,7-8,13H,1,6,9-11H2,2H3
InChIKeySPQQYLWAJKDGIJ-UHFFFAOYSA-N
MW193.29 g/mol
LogP0.90
Rot. Bonds6

About methanidyl-methyl-(3-phenylmethoxypropyl)azanium

methanidyl-methyl-(3-phenylmethoxypropyl)azanium (PubChem CID 155624899) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is methanidyl-methyl-(3-phenylmethoxypropyl)azanium.

Molecular Properties

Compound Namemethanidyl-methyl-(3-phenylmethoxypropyl)azanium
PubChem CID155624899
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Namemethanidyl-methyl-(3-phenylmethoxypropyl)azanium
SMILES[CH2-][NH+](C)CCCOCc1ccccc1
InChIInChI=1S/C12H19NO/c1-13(2)9-6-10-14-11-12-7-4-3-5-8-12/h3-5,7-8,13H,1,6,9-11H2,2H3
InChIKeySPQQYLWAJKDGIJ-UHFFFAOYSA-N
XLogP0.90
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

butoxymethylbenzene;ethane
CID 145341806
5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
CID 135358353
lithium;butoxymethylbenzene;hydride
CID 175482454
CID 136908341
CID 136908341
azane;hexoxymethylbenzene
CID 174805489
2-hexadecoxyethoxymethylbenzene
CID 19965709
2-(2-heptoxyethoxy)ethoxymethylbenzene
CID 123339460
2-dodecoxyethoxymethylbenzene
CID 12857482
5-(2-hexoxyethoxy)pentoxymethylbenzene
CID 160938924
ethane;phenylmethoxymethylbenzene
CID 90943549
5-bromopentoxymethylbenzene;1,5-dibromopentane
CID 161240377
15-bromopentadecoxymethylbenzene
CID 11338468

Frequently Asked Questions

What is the IUPAC name of methanidyl-methyl-(3-phenylmethoxypropyl)azanium?
The IUPAC name of methanidyl-methyl-(3-phenylmethoxypropyl)azanium (CID 155624899) is methanidyl-methyl-(3-phenylmethoxypropyl)azanium.
What is the SMILES notation for methanidyl-methyl-(3-phenylmethoxypropyl)azanium?
The canonical SMILES for methanidyl-methyl-(3-phenylmethoxypropyl)azanium is [CH2-][NH+](C)CCCOCc1ccccc1.
What is the InChIKey of methanidyl-methyl-(3-phenylmethoxypropyl)azanium?
The InChIKey is SPQQYLWAJKDGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-13(2)9-6-10-14-11-12-7-4-3-5-8-12/h3-5,7-8,13H,1,6,9-11H2,2H3.
What are the key properties of methanidyl-methyl-(3-phenylmethoxypropyl)azanium?
methanidyl-methyl-(3-phenylmethoxypropyl)azanium has a molecular weight of 193.29 g/mol, XLogP of 0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanidyl-methyl-(3-phenylmethoxypropyl)azanium is sourced from PubChem (CID 155624899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).