methanidyl(oxolan-2-ylmethyl)azanium

C6H13NO — CID 20723548

IUPACmethanidyl(oxolan-2-ylmethyl)azanium
SMILES[CH2-][NH2+]CC1CCCO1
InChIInChI=1S/C6H13NO/c1-7-5-6-3-2-4-8-6/h6H,1-5,7H2
InChIKeyFOODJHKQUYCUBB-UHFFFAOYSA-N
MW115.18 g/mol
LogP-0.48
Rot. Bonds2

About methanidyl(oxolan-2-ylmethyl)azanium

methanidyl(oxolan-2-ylmethyl)azanium (PubChem CID 20723548) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is methanidyl(oxolan-2-ylmethyl)azanium.

Molecular Properties

Compound Namemethanidyl(oxolan-2-ylmethyl)azanium
PubChem CID20723548
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Namemethanidyl(oxolan-2-ylmethyl)azanium
SMILES[CH2-][NH2+]CC1CCCO1
InChIInChI=1S/C6H13NO/c1-7-5-6-3-2-4-8-6/h6H,1-5,7H2
InChIKeyFOODJHKQUYCUBB-UHFFFAOYSA-N
XLogP-0.48
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methanidyl(oxolan-2-ylmethyl)azanium?
The IUPAC name of methanidyl(oxolan-2-ylmethyl)azanium (CID 20723548) is methanidyl(oxolan-2-ylmethyl)azanium.
What is the SMILES notation for methanidyl(oxolan-2-ylmethyl)azanium?
The canonical SMILES for methanidyl(oxolan-2-ylmethyl)azanium is [CH2-][NH2+]CC1CCCO1.
What is the InChIKey of methanidyl(oxolan-2-ylmethyl)azanium?
The InChIKey is FOODJHKQUYCUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-7-5-6-3-2-4-8-6/h6H,1-5,7H2.
What are the key properties of methanidyl(oxolan-2-ylmethyl)azanium?
methanidyl(oxolan-2-ylmethyl)azanium has a molecular weight of 115.18 g/mol, XLogP of -0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanidyl(oxolan-2-ylmethyl)azanium is sourced from PubChem (CID 20723548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).