methoxy-[[N'-methyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]azanium

C8H19N4O2+ — CID 143419428

IUPACmethoxy-[[N'-methyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]azanium
SMILESC/N=C(/NCC1CCOC1)N[NH2+]OC
InChIInChI=1S/C8H18N4O2/c1-9-8(11-12-13-2)10-5-7-3-4-14-6-7/h7,12H,3-6H2,1-2H3,(H2,9,10,11)/p+1
InChIKeyXGHUJGPKGOLOOJ-UHFFFAOYSA-O
MW203.27 g/mol
LogP-1.77
Rot. Bonds4

About methoxy-[[N'-methyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]azanium

methoxy-[[N'-methyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]azanium (PubChem CID 143419428) has the molecular formula C8H19N4O2+ and a molecular weight of 203.27 g/mol. Its IUPAC name is methoxy-[[N'-methyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]azanium.

Molecular Properties

Compound Namemethoxy-[[N'-methyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]azanium
PubChem CID143419428
Molecular FormulaC8H19N4O2+
Molecular Weight203.27 g/mol
Exact Mass203.15
IUPAC Namemethoxy-[[N'-methyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]azanium
SMILESC/N=C(/NCC1CCOC1)N[NH2+]OC
InChIInChI=1S/C8H18N4O2/c1-9-8(11-12-13-2)10-5-7-3-4-14-6-7/h7,12H,3-6H2,1-2H3,(H2,9,10,11)/p+1
InChIKeyXGHUJGPKGOLOOJ-UHFFFAOYSA-O
XLogP-1.77
TPSA71.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 5-1.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methoxy-[[N'-methyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]azanium?
The IUPAC name of methoxy-[[N'-methyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]azanium (CID 143419428) is methoxy-[[N'-methyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]azanium.
What is the SMILES notation for methoxy-[[N'-methyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]azanium?
The canonical SMILES for methoxy-[[N'-methyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]azanium is C/N=C(/NCC1CCOC1)N[NH2+]OC.
What is the InChIKey of methoxy-[[N'-methyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]azanium?
The InChIKey is XGHUJGPKGOLOOJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H18N4O2/c1-9-8(11-12-13-2)10-5-7-3-4-14-6-7/h7,12H,3-6H2,1-2H3,(H2,9,10,11)/p+1.
What are the key properties of methoxy-[[N'-methyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]azanium?
methoxy-[[N'-methyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]azanium has a molecular weight of 203.27 g/mol, XLogP of -1.77, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-[[N'-methyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]azanium is sourced from PubChem (CID 143419428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).