3-amino-1,2-dimethyl-1-(oxan-4-yl)guanidine

C8H18N4O — CID 104882022

IUPAC3-amino-1,2-dimethyl-1-(oxan-4-yl)guanidine
SMILESC/N=C(\NN)N(C)C1CCOCC1
InChIInChI=1S/C8H18N4O/c1-10-8(11-9)12(2)7-3-5-13-6-4-7/h7H,3-6,9H2,1-2H3,(H,10,11)
InChIKeyOBTMLCATUIMOOI-UHFFFAOYSA-N
MW186.26 g/mol
LogP-0.45
Rot. Bonds1

About 3-amino-1,2-dimethyl-1-(oxan-4-yl)guanidine

3-amino-1,2-dimethyl-1-(oxan-4-yl)guanidine (PubChem CID 104882022) has the molecular formula C8H18N4O and a molecular weight of 186.26 g/mol. Its IUPAC name is 3-amino-1,2-dimethyl-1-(oxan-4-yl)guanidine.

Molecular Properties

Compound Name3-amino-1,2-dimethyl-1-(oxan-4-yl)guanidine
PubChem CID104882022
Molecular FormulaC8H18N4O
Molecular Weight186.26 g/mol
Exact Mass186.15
IUPAC Name3-amino-1,2-dimethyl-1-(oxan-4-yl)guanidine
SMILESC/N=C(\NN)N(C)C1CCOCC1
InChIInChI=1S/C8H18N4O/c1-10-8(11-9)12(2)7-3-5-13-6-4-7/h7H,3-6,9H2,1-2H3,(H,10,11)
InChIKeyOBTMLCATUIMOOI-UHFFFAOYSA-N
XLogP-0.45
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
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 3-amino-1,2-dimethyl-1-(oxan-4-yl)guanidine?
The IUPAC name of 3-amino-1,2-dimethyl-1-(oxan-4-yl)guanidine (CID 104882022) is 3-amino-1,2-dimethyl-1-(oxan-4-yl)guanidine.
What is the SMILES notation for 3-amino-1,2-dimethyl-1-(oxan-4-yl)guanidine?
The canonical SMILES for 3-amino-1,2-dimethyl-1-(oxan-4-yl)guanidine is C/N=C(\NN)N(C)C1CCOCC1.
What is the InChIKey of 3-amino-1,2-dimethyl-1-(oxan-4-yl)guanidine?
The InChIKey is OBTMLCATUIMOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O/c1-10-8(11-9)12(2)7-3-5-13-6-4-7/h7H,3-6,9H2,1-2H3,(H,10,11).
What are the key properties of 3-amino-1,2-dimethyl-1-(oxan-4-yl)guanidine?
3-amino-1,2-dimethyl-1-(oxan-4-yl)guanidine has a molecular weight of 186.26 g/mol, XLogP of -0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,2-dimethyl-1-(oxan-4-yl)guanidine is sourced from PubChem (CID 104882022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).