methanidyl-methoxy-(oxolan-3-ylmethyl)azanium

C7H15NO2 — CID 155624774

IUPACmethanidyl-methoxy-(oxolan-3-ylmethyl)azanium
SMILES[CH2-][NH+](CC1CCOC1)OC
InChIInChI=1S/C7H15NO2/c1-8(9-2)5-7-3-4-10-6-7/h7-8H,1,3-6H2,2H3
InChIKeyBUOGTBKIXVNXCQ-UHFFFAOYSA-N
MW145.20 g/mol
LogP-0.74
Rot. Bonds3

About methanidyl-methoxy-(oxolan-3-ylmethyl)azanium

methanidyl-methoxy-(oxolan-3-ylmethyl)azanium (PubChem CID 155624774) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is methanidyl-methoxy-(oxolan-3-ylmethyl)azanium.

Molecular Properties

Compound Namemethanidyl-methoxy-(oxolan-3-ylmethyl)azanium
PubChem CID155624774
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Namemethanidyl-methoxy-(oxolan-3-ylmethyl)azanium
SMILES[CH2-][NH+](CC1CCOC1)OC
InChIInChI=1S/C7H15NO2/c1-8(9-2)5-7-3-4-10-6-7/h7-8H,1,3-6H2,2H3
InChIKeyBUOGTBKIXVNXCQ-UHFFFAOYSA-N
XLogP-0.74
TPSA22.90 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;3-(methoxymethyl)oxolane
CID 143285946
3-ethyloxolane
CID 10996972
O-(oxolan-3-ylmethyl)hydroxylamine
CID 25137671
O-(oxolan-3-ylmethyl)hydroxylamine;hydrochloride
CID 67132109
butane;3-ethyloxolane
CID 143075797
(3S)-3-(2,2-dimethylpropyl)oxolane
CID 139100718
3-(bromomethyl)oxolane
CID 14173422
N-methyl-1-[(3R)-oxolan-3-yl]methanamine
CID 30427580
2-methoxy-N-(oxolan-3-ylmethyl)ethanamine
CID 43190181
2,2-dimethoxy-N-(oxolan-3-ylmethyl)ethanamine
CID 60815560
1-N-methyl-1-N-(oxolan-3-ylmethyl)propane-1,2-diamine
CID 63760483
diethyl(oxolan-3-ylmethoxy)alumane
CID 139905311

Frequently Asked Questions

What is the IUPAC name of methanidyl-methoxy-(oxolan-3-ylmethyl)azanium?
The IUPAC name of methanidyl-methoxy-(oxolan-3-ylmethyl)azanium (CID 155624774) is methanidyl-methoxy-(oxolan-3-ylmethyl)azanium.
What is the SMILES notation for methanidyl-methoxy-(oxolan-3-ylmethyl)azanium?
The canonical SMILES for methanidyl-methoxy-(oxolan-3-ylmethyl)azanium is [CH2-][NH+](CC1CCOC1)OC.
What is the InChIKey of methanidyl-methoxy-(oxolan-3-ylmethyl)azanium?
The InChIKey is BUOGTBKIXVNXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-8(9-2)5-7-3-4-10-6-7/h7-8H,1,3-6H2,2H3.
What are the key properties of methanidyl-methoxy-(oxolan-3-ylmethyl)azanium?
methanidyl-methoxy-(oxolan-3-ylmethyl)azanium has a molecular weight of 145.20 g/mol, XLogP of -0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanidyl-methoxy-(oxolan-3-ylmethyl)azanium is sourced from PubChem (CID 155624774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).