3-amino-1-(furan-2-ylmethyl)-1-methyl-2-(2-methylpropyl)guanidine

C11H20N4O — CID 116513302

IUPAC3-amino-1-(furan-2-ylmethyl)-1-methyl-2-(2-methylpropyl)guanidine
SMILESCC(C)C/N=C(\NN)N(C)Cc1ccco1
InChIInChI=1S/C11H20N4O/c1-9(2)7-13-11(14-12)15(3)8-10-5-4-6-16-10/h4-6,9H,7-8,12H2,1-3H3,(H,13,14)
InChIKeyZUPKEJCFDVFLSL-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.19
Rot. Bonds4

About 3-amino-1-(furan-2-ylmethyl)-1-methyl-2-(2-methylpropyl)guanidine

3-amino-1-(furan-2-ylmethyl)-1-methyl-2-(2-methylpropyl)guanidine (PubChem CID 116513302) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-amino-1-(furan-2-ylmethyl)-1-methyl-2-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name3-amino-1-(furan-2-ylmethyl)-1-methyl-2-(2-methylpropyl)guanidine
PubChem CID116513302
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name3-amino-1-(furan-2-ylmethyl)-1-methyl-2-(2-methylpropyl)guanidine
SMILESCC(C)C/N=C(\NN)N(C)Cc1ccco1
InChIInChI=1S/C11H20N4O/c1-9(2)7-13-11(14-12)15(3)8-10-5-4-6-16-10/h4-6,9H,7-8,12H2,1-3H3,(H,13,14)
InChIKeyZUPKEJCFDVFLSL-UHFFFAOYSA-N
XLogP1.19
TPSA66.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.19
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-(furan-2-ylmethyl)-1-methyl-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-methyl-2-(2-methylpropyl)-1-phenylguanidine
CID 116512868
N-(furan-2-ylmethyl)-N,3-dimethylbutanamide
CID 58845598
3-[2-(furan-2-yl)ethyl]-1-methyl-1-(2-methylprop-2-enyl)-2-(2-methylpropyl)guanidine
CID 110061400
1-butyl-3-[2-(furan-2-yl)ethyl]-1-methyl-2-(2-methylpropyl)guanidine
CID 110053342
(2R)-2-chloro-N-(furan-2-ylmethyl)-N-methylpropanamide
CID 42554709
3-amino-1-ethyl-1-(furan-2-ylmethyl)-2-phenylguanidine
CID 116514654
methyl N-(furan-2-ylmethyl)-N-methylcarbamate
CID 2755161
2-[[N-(furan-2-ylmethyl)-N,N'-dimethylcarbamimidoyl]amino]-N-propan-2-ylacetamide;hydroiodide
CID 119132289
4-amino-N-(furan-2-ylmethyl)-N-methylpentanamide;hydrochloride
CID 120566075
1-amino-2-(furan-2-ylmethyl)-3-(2-methylpropyl)guanidine
CID 116511400
3-amino-2-ethyl-1-methyl-1-[(5-methylfuran-2-yl)methyl]guanidine
CID 116513240
3-[2-(furan-2-yl)ethyl]-1-methyl-2-(2-methylpropyl)-1-(oxolan-3-ylmethyl)guanidine
CID 109385768

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(furan-2-ylmethyl)-1-methyl-2-(2-methylpropyl)guanidine?
The IUPAC name of 3-amino-1-(furan-2-ylmethyl)-1-methyl-2-(2-methylpropyl)guanidine (CID 116513302) is 3-amino-1-(furan-2-ylmethyl)-1-methyl-2-(2-methylpropyl)guanidine.
What is the SMILES notation for 3-amino-1-(furan-2-ylmethyl)-1-methyl-2-(2-methylpropyl)guanidine?
The canonical SMILES for 3-amino-1-(furan-2-ylmethyl)-1-methyl-2-(2-methylpropyl)guanidine is CC(C)C/N=C(\NN)N(C)Cc1ccco1.
What is the InChIKey of 3-amino-1-(furan-2-ylmethyl)-1-methyl-2-(2-methylpropyl)guanidine?
The InChIKey is ZUPKEJCFDVFLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-9(2)7-13-11(14-12)15(3)8-10-5-4-6-16-10/h4-6,9H,7-8,12H2,1-3H3,(H,13,14).
What are the key properties of 3-amino-1-(furan-2-ylmethyl)-1-methyl-2-(2-methylpropyl)guanidine?
3-amino-1-(furan-2-ylmethyl)-1-methyl-2-(2-methylpropyl)guanidine has a molecular weight of 224.31 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(furan-2-ylmethyl)-1-methyl-2-(2-methylpropyl)guanidine is sourced from PubChem (CID 116513302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).