1-methyl-1-(oxan-4-yl)guanidine

C7H15N3O — CID 23103882

IUPAC1-methyl-1-(oxan-4-yl)guanidine
SMILES[H]/N=C(\N)N(C)C1CCOCC1
InChIInChI=1S/C7H15N3O/c1-10(7(8)9)6-2-4-11-5-3-6/h6H,2-5H2,1H3,(H3,8,9)
InChIKeyKTTJEMFRIUQEJX-UHFFFAOYSA-N
MW157.22 g/mol
LogP-0.01
Rot. Bonds1

About 1-methyl-1-(oxan-4-yl)guanidine

1-methyl-1-(oxan-4-yl)guanidine (PubChem CID 23103882) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 1-methyl-1-(oxan-4-yl)guanidine.

Molecular Properties

Compound Name1-methyl-1-(oxan-4-yl)guanidine
PubChem CID23103882
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name1-methyl-1-(oxan-4-yl)guanidine
SMILES[H]/N=C(\N)N(C)C1CCOCC1
InChIInChI=1S/C7H15N3O/c1-10(7(8)9)6-2-4-11-5-3-6/h6H,2-5H2,1H3,(H3,8,9)
InChIKeyKTTJEMFRIUQEJX-UHFFFAOYSA-N
XLogP-0.01
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-methyl-1-(oxan-4-yl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(oxan-4-yl)guanidine?
The IUPAC name of 1-methyl-1-(oxan-4-yl)guanidine (CID 23103882) is 1-methyl-1-(oxan-4-yl)guanidine.
What is the SMILES notation for 1-methyl-1-(oxan-4-yl)guanidine?
The canonical SMILES for 1-methyl-1-(oxan-4-yl)guanidine is [H]/N=C(\N)N(C)C1CCOCC1.
What is the InChIKey of 1-methyl-1-(oxan-4-yl)guanidine?
The InChIKey is KTTJEMFRIUQEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c1-10(7(8)9)6-2-4-11-5-3-6/h6H,2-5H2,1H3,(H3,8,9).
What are the key properties of 1-methyl-1-(oxan-4-yl)guanidine?
1-methyl-1-(oxan-4-yl)guanidine has a molecular weight of 157.22 g/mol, XLogP of -0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(oxan-4-yl)guanidine is sourced from PubChem (CID 23103882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).