3-amino-1,2-dimethyl-1-(oxan-2-ylmethyl)guanidine

C9H20N4O — CID 104882064

IUPAC3-amino-1,2-dimethyl-1-(oxan-2-ylmethyl)guanidine
SMILESC/N=C(\NN)N(C)CC1CCCCO1
InChIInChI=1S/C9H20N4O/c1-11-9(12-10)13(2)7-8-5-3-4-6-14-8/h8H,3-7,10H2,1-2H3,(H,11,12)
InChIKeyRHANTIQXRFAMNU-UHFFFAOYSA-N
MW200.29 g/mol
LogP-0.06
Rot. Bonds2

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

3-amino-1,2-dimethyl-1-(oxan-2-ylmethyl)guanidine (PubChem CID 104882064) has the molecular formula C9H20N4O and a molecular weight of 200.29 g/mol. Its IUPAC name is 3-amino-1,2-dimethyl-1-(oxan-2-ylmethyl)guanidine.

Molecular Properties

Compound Name3-amino-1,2-dimethyl-1-(oxan-2-ylmethyl)guanidine
PubChem CID104882064
Molecular FormulaC9H20N4O
Molecular Weight200.29 g/mol
Exact Mass200.16
IUPAC Name3-amino-1,2-dimethyl-1-(oxan-2-ylmethyl)guanidine
SMILESC/N=C(\NN)N(C)CC1CCCCO1
InChIInChI=1S/C9H20N4O/c1-11-9(12-10)13(2)7-8-5-3-4-6-14-8/h8H,3-7,10H2,1-2H3,(H,11,12)
InChIKeyRHANTIQXRFAMNU-UHFFFAOYSA-N
XLogP-0.06
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 5-0.06
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'}

Analyze 3-amino-1,2-dimethyl-1-(oxan-2-ylmethyl)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 3-amino-1,2-dimethyl-1-(oxan-2-ylmethyl)guanidine?
The IUPAC name of 3-amino-1,2-dimethyl-1-(oxan-2-ylmethyl)guanidine (CID 104882064) is 3-amino-1,2-dimethyl-1-(oxan-2-ylmethyl)guanidine.
What is the SMILES notation for 3-amino-1,2-dimethyl-1-(oxan-2-ylmethyl)guanidine?
The canonical SMILES for 3-amino-1,2-dimethyl-1-(oxan-2-ylmethyl)guanidine is C/N=C(\NN)N(C)CC1CCCCO1.
What is the InChIKey of 3-amino-1,2-dimethyl-1-(oxan-2-ylmethyl)guanidine?
The InChIKey is RHANTIQXRFAMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O/c1-11-9(12-10)13(2)7-8-5-3-4-6-14-8/h8H,3-7,10H2,1-2H3,(H,11,12).
What are the key properties of 3-amino-1,2-dimethyl-1-(oxan-2-ylmethyl)guanidine?
3-amino-1,2-dimethyl-1-(oxan-2-ylmethyl)guanidine has a molecular weight of 200.29 g/mol, XLogP of -0.06, 2 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-2-ylmethyl)guanidine is sourced from PubChem (CID 104882064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).