1-amino-3-(1-methoxypentan-2-yl)-2-methylguanidine

C8H20N4O — CID 104882285

IUPAC1-amino-3-(1-methoxypentan-2-yl)-2-methylguanidine
SMILESCCCC(COC)N/C(=N/C)NN
InChIInChI=1S/C8H20N4O/c1-4-5-7(6-13-3)11-8(10-2)12-9/h7H,4-6,9H2,1-3H3,(H2,10,11,12)
InChIKeyWBRWVXORTPVRIM-UHFFFAOYSA-N
MW188.27 g/mol
LogP-0.16
Rot. Bonds5

About 1-amino-3-(1-methoxypentan-2-yl)-2-methylguanidine

1-amino-3-(1-methoxypentan-2-yl)-2-methylguanidine (PubChem CID 104882285) has the molecular formula C8H20N4O and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-amino-3-(1-methoxypentan-2-yl)-2-methylguanidine.

Molecular Properties

Compound Name1-amino-3-(1-methoxypentan-2-yl)-2-methylguanidine
PubChem CID104882285
Molecular FormulaC8H20N4O
Molecular Weight188.27 g/mol
Exact Mass188.16
IUPAC Name1-amino-3-(1-methoxypentan-2-yl)-2-methylguanidine
SMILESCCCC(COC)N/C(=N/C)NN
InChIInChI=1S/C8H20N4O/c1-4-5-7(6-13-3)11-8(10-2)12-9/h7H,4-6,9H2,1-3H3,(H2,10,11,12)
InChIKeyWBRWVXORTPVRIM-UHFFFAOYSA-N
XLogP-0.16
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
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 1-amino-3-(1-methoxypentan-2-yl)-2-methylguanidine 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

1-Amino-3-(1-methoxypropan-2-yl)-2-(3,3,3-trifluoropropyl)guanidine
CID 104885799
1-Amino-2-(2-methoxyethyl)-3-(4,4,4-trifluorobutan-2-yl)guanidine
CID 105937751
1-Amino-3-(1-methoxypropan-2-yl)-2-(4,4,4-trifluorobutan-2-yl)guanidine
CID 105937766
1-Amino-3-(1-methoxypropan-2-yl)-2-(4,4,4-trifluorobutyl)guanidine
CID 113531338
1-Amino-3-(1-methoxypropan-2-yl)-2-(5,5,5-trifluoropentyl)guanidine
CID 113531342
1-Amino-2-methyl-3-(2-methyloxolan-3-yl)guanidine
CID 104882407
1-(1-Methoxypentan-2-yl)-2-methylguanidine
CID 64402981
2-Ethyl-1-(1-methoxypentan-2-yl)guanidine
CID 64402982
1-(1-Methoxypentan-2-yl)-2-propylguanidine
CID 64403389
1-Amino-3-butyl-2-(2-methoxypropyl)guanidine
CID 102702157
1-Amino-3-cyclohexyl-2-(2-methoxypropyl)guanidine
CID 102702158
1-Amino-2-(2-methoxypropyl)-3-propan-2-ylguanidine
CID 102702163

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(1-methoxypentan-2-yl)-2-methylguanidine?
The IUPAC name of 1-amino-3-(1-methoxypentan-2-yl)-2-methylguanidine (CID 104882285) is 1-amino-3-(1-methoxypentan-2-yl)-2-methylguanidine.
What is the SMILES notation for 1-amino-3-(1-methoxypentan-2-yl)-2-methylguanidine?
The canonical SMILES for 1-amino-3-(1-methoxypentan-2-yl)-2-methylguanidine is CCCC(COC)N/C(=N/C)NN.
What is the InChIKey of 1-amino-3-(1-methoxypentan-2-yl)-2-methylguanidine?
The InChIKey is WBRWVXORTPVRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4O/c1-4-5-7(6-13-3)11-8(10-2)12-9/h7H,4-6,9H2,1-3H3,(H2,10,11,12).
What are the key properties of 1-amino-3-(1-methoxypentan-2-yl)-2-methylguanidine?
1-amino-3-(1-methoxypentan-2-yl)-2-methylguanidine has a molecular weight of 188.27 g/mol, XLogP of -0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(1-methoxypentan-2-yl)-2-methylguanidine is sourced from PubChem (CID 104882285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).