methanidyl-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]azanium

C10H20N2O — CID 88554187

IUPACmethanidyl-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]azanium
SMILES[CH2-][NH2+][C@@H]1CCN(C2CCOCC2)C1
InChIInChI=1S/C10H20N2O/c1-11-9-2-5-12(8-9)10-3-6-13-7-4-10/h9-10H,1-8,11H2/t9-/m1/s1
InChIKeyUNJAZACTLBBODA-SECBINFHSA-N
MW184.28 g/mol
LogP-0.41
Rot. Bonds2

About methanidyl-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]azanium

methanidyl-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]azanium (PubChem CID 88554187) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is methanidyl-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]azanium.

Molecular Properties

Compound Namemethanidyl-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]azanium
PubChem CID88554187
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Namemethanidyl-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]azanium
SMILES[CH2-][NH2+][C@@H]1CCN(C2CCOCC2)C1
InChIInChI=1S/C10H20N2O/c1-11-9-2-5-12(8-9)10-3-6-13-7-4-10/h9-10H,1-8,11H2/t9-/m1/s1
InChIKeyUNJAZACTLBBODA-SECBINFHSA-N
XLogP-0.41
TPSA29.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]azanium?
The IUPAC name of methanidyl-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]azanium (CID 88554187) is methanidyl-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]azanium.
What is the SMILES notation for methanidyl-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]azanium?
The canonical SMILES for methanidyl-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]azanium is [CH2-][NH2+][C@@H]1CCN(C2CCOCC2)C1.
What is the InChIKey of methanidyl-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]azanium?
The InChIKey is UNJAZACTLBBODA-SECBINFHSA-N. The full InChI is InChI=1S/C10H20N2O/c1-11-9-2-5-12(8-9)10-3-6-13-7-4-10/h9-10H,1-8,11H2/t9-/m1/s1.
What are the key properties of methanidyl-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]azanium?
methanidyl-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]azanium has a molecular weight of 184.28 g/mol, XLogP of -0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanidyl-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]azanium is sourced from PubChem (CID 88554187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).