2-(2-methylpropyl)-1-(oxan-4-yl)guanidine

C10H21N3O — CID 62361978

IUPAC2-(2-methylpropyl)-1-(oxan-4-yl)guanidine
SMILESCC(C)C/N=C(\N)NC1CCOCC1
InChIInChI=1S/C10H21N3O/c1-8(2)7-12-10(11)13-9-3-5-14-6-4-9/h8-9H,3-7H2,1-2H3,(H3,11,12,13)
InChIKeyFGAHKNBUVJJEPJ-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.73
Rot. Bonds3

About 2-(2-methylpropyl)-1-(oxan-4-yl)guanidine

2-(2-methylpropyl)-1-(oxan-4-yl)guanidine (PubChem CID 62361978) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-(2-methylpropyl)-1-(oxan-4-yl)guanidine.

Molecular Properties

Compound Name2-(2-methylpropyl)-1-(oxan-4-yl)guanidine
PubChem CID62361978
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name2-(2-methylpropyl)-1-(oxan-4-yl)guanidine
SMILESCC(C)C/N=C(\N)NC1CCOCC1
InChIInChI=1S/C10H21N3O/c1-8(2)7-12-10(11)13-9-3-5-14-6-4-9/h8-9H,3-7H2,1-2H3,(H3,11,12,13)
InChIKeyFGAHKNBUVJJEPJ-UHFFFAOYSA-N
XLogP0.73
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.73
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 2-(2-methylpropyl)-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 2-(2-methylpropyl)-1-(oxan-4-yl)guanidine?
The IUPAC name of 2-(2-methylpropyl)-1-(oxan-4-yl)guanidine (CID 62361978) is 2-(2-methylpropyl)-1-(oxan-4-yl)guanidine.
What is the SMILES notation for 2-(2-methylpropyl)-1-(oxan-4-yl)guanidine?
The canonical SMILES for 2-(2-methylpropyl)-1-(oxan-4-yl)guanidine is CC(C)C/N=C(\N)NC1CCOCC1.
What is the InChIKey of 2-(2-methylpropyl)-1-(oxan-4-yl)guanidine?
The InChIKey is FGAHKNBUVJJEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-8(2)7-12-10(11)13-9-3-5-14-6-4-9/h8-9H,3-7H2,1-2H3,(H3,11,12,13).
What are the key properties of 2-(2-methylpropyl)-1-(oxan-4-yl)guanidine?
2-(2-methylpropyl)-1-(oxan-4-yl)guanidine has a molecular weight of 199.30 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-1-(oxan-4-yl)guanidine is sourced from PubChem (CID 62361978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).