3-amino-1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)-2-(2-methylpropyl)guanidine

C12H28N4O2 — CID 104885186

IUPAC3-amino-1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)-2-(2-methylpropyl)guanidine
SMILESCOCCN(/C(=N/CC(C)C)NN)C(C)COC
InChIInChI=1S/C12H28N4O2/c1-10(2)8-14-12(15-13)16(6-7-17-4)11(3)9-18-5/h10-11H,6-9,13H2,1-5H3,(H,14,15)
InChIKeyGECQMYPOPJDNAP-UHFFFAOYSA-N
MW260.38 g/mol
LogP0.44
Rot. Bonds8

About 3-amino-1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)-2-(2-methylpropyl)guanidine

3-amino-1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)-2-(2-methylpropyl)guanidine (PubChem CID 104885186) has the molecular formula C12H28N4O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-amino-1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)-2-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name3-amino-1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)-2-(2-methylpropyl)guanidine
PubChem CID104885186
Molecular FormulaC12H28N4O2
Molecular Weight260.38 g/mol
Exact Mass260.22
IUPAC Name3-amino-1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)-2-(2-methylpropyl)guanidine
SMILESCOCCN(/C(=N/CC(C)C)NN)C(C)COC
InChIInChI=1S/C12H28N4O2/c1-10(2)8-14-12(15-13)16(6-7-17-4)11(3)9-18-5/h10-11H,6-9,13H2,1-5H3,(H,14,15)
InChIKeyGECQMYPOPJDNAP-UHFFFAOYSA-N
XLogP0.44
TPSA72.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-methoxyethyl)-1-(1-methoxypropan-2-yl)-2-(2-methylpropyl)guanidine with MolForge

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

Launch Full Analysis

Related Compounds

3-amino-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-(2-methylpropyl)guanidine
CID 104885141
3-amino-2-(3-ethoxypropyl)-1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)guanidine
CID 104885181
3-amino-1,1-dimethyl-2-(2-methylpropyl)guanidine
CID 104883395
3-amino-1-(2-methoxyethyl)-1-(2-methylpropyl)-2-propylguanidine
CID 104884542
3-amino-1-ethyl-1,2-bis(2-methylpropyl)guanidine
CID 104883501
3-amino-1-butan-2-yl-1-methyl-2-(2-methylpropyl)guanidine
CID 104883606
1-(2-methoxyethyl)-1-methyl-2-(2-methylpropyl)guanidine
CID 62362563
3-amino-1,1,2-tris(2-methoxyethyl)guanidine
CID 104885360
1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine
CID 111180437
3-amino-1-butyl-1-cyclopropyl-2-(2-methylpropyl)guanidine
CID 104884602
3-amino-1-cyclopentyl-1-ethyl-2-(2-methylpropyl)guanidine
CID 104883817
2-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]propanoic acid
CID 55004090

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)-2-(2-methylpropyl)guanidine?
The IUPAC name of 3-amino-1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)-2-(2-methylpropyl)guanidine (CID 104885186) is 3-amino-1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)-2-(2-methylpropyl)guanidine.
What is the SMILES notation for 3-amino-1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)-2-(2-methylpropyl)guanidine?
The canonical SMILES for 3-amino-1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)-2-(2-methylpropyl)guanidine is COCCN(/C(=N/CC(C)C)NN)C(C)COC.
What is the InChIKey of 3-amino-1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)-2-(2-methylpropyl)guanidine?
The InChIKey is GECQMYPOPJDNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N4O2/c1-10(2)8-14-12(15-13)16(6-7-17-4)11(3)9-18-5/h10-11H,6-9,13H2,1-5H3,(H,14,15).
What are the key properties of 3-amino-1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)-2-(2-methylpropyl)guanidine?
3-amino-1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)-2-(2-methylpropyl)guanidine has a molecular weight of 260.38 g/mol, XLogP of 0.44, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)-2-(2-methylpropyl)guanidine is sourced from PubChem (CID 104885186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).