methanidyl(oxan-3-yl)azanium

C6H13NO — CID 155624992

IUPACmethanidyl(oxan-3-yl)azanium
SMILES[CH2-][NH2+]C1CCCOC1
InChIInChI=1S/C6H13NO/c1-7-6-3-2-4-8-5-6/h6H,1-5,7H2
InChIKeyRBZYASSGZZFENQ-UHFFFAOYSA-N
MW115.18 g/mol
LogP-0.48
Rot. Bonds1

About methanidyl(oxan-3-yl)azanium

methanidyl(oxan-3-yl)azanium (PubChem CID 155624992) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is methanidyl(oxan-3-yl)azanium.

Molecular Properties

Compound Namemethanidyl(oxan-3-yl)azanium
PubChem CID155624992
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Namemethanidyl(oxan-3-yl)azanium
SMILES[CH2-][NH2+]C1CCCOC1
InChIInChI=1S/C6H13NO/c1-7-6-3-2-4-8-5-6/h6H,1-5,7H2
InChIKeyRBZYASSGZZFENQ-UHFFFAOYSA-N
XLogP-0.48
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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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Related Compounds

(3R)-3-[(3S)-oxan-3-yl]oxane
CID 122223544
oxan-3-amine
CID 5200320
ethane;(3S)-3-methyloxane;sulfane
CID 158056662
(3R)-N-methyloxan-3-amine
CID 58327948
3-methyloxane;oxolane
CID 139878979
bis(oxan-3-yl)methanamine
CID 107136437
methylcyclohexane;3-methyloxane
CID 144617317
(3R)-oxane-3-carbothioamide
CID 96581763
3-fluorooxepane
CID 118248166
(3R)-oxane-3-carboxylic acid
CID 42554318
1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine
CID 129371205
ethane;3-propan-2-yloxane
CID 143985480

Frequently Asked Questions

What is the IUPAC name of methanidyl(oxan-3-yl)azanium?
The IUPAC name of methanidyl(oxan-3-yl)azanium (CID 155624992) is methanidyl(oxan-3-yl)azanium.
What is the SMILES notation for methanidyl(oxan-3-yl)azanium?
The canonical SMILES for methanidyl(oxan-3-yl)azanium is [CH2-][NH2+]C1CCCOC1.
What is the InChIKey of methanidyl(oxan-3-yl)azanium?
The InChIKey is RBZYASSGZZFENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-7-6-3-2-4-8-5-6/h6H,1-5,7H2.
What are the key properties of methanidyl(oxan-3-yl)azanium?
methanidyl(oxan-3-yl)azanium has a molecular weight of 115.18 g/mol, XLogP of -0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanidyl(oxan-3-yl)azanium is sourced from PubChem (CID 155624992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).