1,2-dimethyl-1-(4-methylpentan-2-yloxy)guanidine

C9H21N3O — CID 59361653

IUPAC1,2-dimethyl-1-(4-methylpentan-2-yloxy)guanidine
SMILESC/N=C(\N)N(C)OC(C)CC(C)C
InChIInChI=1S/C9H21N3O/c1-7(2)6-8(3)13-12(5)9(10)11-4/h7-8H,6H2,1-5H3,(H2,10,11)
InChIKeyGAJPYJUMKZDJIG-UHFFFAOYSA-N
MW187.29 g/mol
LogP1.23
Rot. Bonds4

About 1,2-dimethyl-1-(4-methylpentan-2-yloxy)guanidine

1,2-dimethyl-1-(4-methylpentan-2-yloxy)guanidine (PubChem CID 59361653) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is 1,2-dimethyl-1-(4-methylpentan-2-yloxy)guanidine.

Molecular Properties

Compound Name1,2-dimethyl-1-(4-methylpentan-2-yloxy)guanidine
PubChem CID59361653
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC Name1,2-dimethyl-1-(4-methylpentan-2-yloxy)guanidine
SMILESC/N=C(\N)N(C)OC(C)CC(C)C
InChIInChI=1S/C9H21N3O/c1-7(2)6-8(3)13-12(5)9(10)11-4/h7-8H,6H2,1-5H3,(H2,10,11)
InChIKeyGAJPYJUMKZDJIG-UHFFFAOYSA-N
XLogP1.23
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,2-dimethyl-1-(4-methylpentan-2-yloxy)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 1,2-dimethyl-1-(4-methylpentan-2-yloxy)guanidine?
The IUPAC name of 1,2-dimethyl-1-(4-methylpentan-2-yloxy)guanidine (CID 59361653) is 1,2-dimethyl-1-(4-methylpentan-2-yloxy)guanidine.
What is the SMILES notation for 1,2-dimethyl-1-(4-methylpentan-2-yloxy)guanidine?
The canonical SMILES for 1,2-dimethyl-1-(4-methylpentan-2-yloxy)guanidine is C/N=C(\N)N(C)OC(C)CC(C)C.
What is the InChIKey of 1,2-dimethyl-1-(4-methylpentan-2-yloxy)guanidine?
The InChIKey is GAJPYJUMKZDJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O/c1-7(2)6-8(3)13-12(5)9(10)11-4/h7-8H,6H2,1-5H3,(H2,10,11).
What are the key properties of 1,2-dimethyl-1-(4-methylpentan-2-yloxy)guanidine?
1,2-dimethyl-1-(4-methylpentan-2-yloxy)guanidine has a molecular weight of 187.29 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-1-(4-methylpentan-2-yloxy)guanidine is sourced from PubChem (CID 59361653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).