3-amino-2-ethyl-1-methyl-1-[(5-methylfuran-2-yl)methyl]guanidine

C10H18N4O — CID 116513240

IUPAC3-amino-2-ethyl-1-methyl-1-[(5-methylfuran-2-yl)methyl]guanidine
SMILESCC/N=C(\NN)N(C)Cc1ccc(C)o1
InChIInChI=1S/C10H18N4O/c1-4-12-10(13-11)14(3)7-9-6-5-8(2)15-9/h5-6H,4,7,11H2,1-3H3,(H,12,13)
InChIKeyLYODOFNHBNCQQD-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.86
Rot. Bonds3

About 3-amino-2-ethyl-1-methyl-1-[(5-methylfuran-2-yl)methyl]guanidine

3-amino-2-ethyl-1-methyl-1-[(5-methylfuran-2-yl)methyl]guanidine (PubChem CID 116513240) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-amino-2-ethyl-1-methyl-1-[(5-methylfuran-2-yl)methyl]guanidine.

Molecular Properties

Compound Name3-amino-2-ethyl-1-methyl-1-[(5-methylfuran-2-yl)methyl]guanidine
PubChem CID116513240
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name3-amino-2-ethyl-1-methyl-1-[(5-methylfuran-2-yl)methyl]guanidine
SMILESCC/N=C(\NN)N(C)Cc1ccc(C)o1
InChIInChI=1S/C10H18N4O/c1-4-12-10(13-11)14(3)7-9-6-5-8(2)15-9/h5-6H,4,7,11H2,1-3H3,(H,12,13)
InChIKeyLYODOFNHBNCQQD-UHFFFAOYSA-N
XLogP0.86
TPSA66.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.86
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-2-ethyl-1-methyl-1-[(5-methylfuran-2-yl)methyl]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-1-[(5-methylfuran-2-yl)methyl]urea
CID 115192836
methyl-[(5-methylfuran-2-yl)methyl]carbamothioic S-acid
CID 115170193
1-methyl-1-[(5-methylfuran-2-yl)methyl]guanidine
CID 60723769
(2S)-2-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 61146960
2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylacetohydrazide
CID 63573476
2-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]pentanamide
CID 43650292
7-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]heptanamide
CID 43514689
2-cyano-N-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide
CID 55208257
N-(2-aminoethyl)-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]oxamide
CID 43525988
3-amino-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]butanamide;hydrochloride
CID 120504472
methyl 3-methyl-2-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]butanoate
CID 115188077
1-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclobutane-1-carboxamide
CID 81179940

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-ethyl-1-methyl-1-[(5-methylfuran-2-yl)methyl]guanidine?
The IUPAC name of 3-amino-2-ethyl-1-methyl-1-[(5-methylfuran-2-yl)methyl]guanidine (CID 116513240) is 3-amino-2-ethyl-1-methyl-1-[(5-methylfuran-2-yl)methyl]guanidine.
What is the SMILES notation for 3-amino-2-ethyl-1-methyl-1-[(5-methylfuran-2-yl)methyl]guanidine?
The canonical SMILES for 3-amino-2-ethyl-1-methyl-1-[(5-methylfuran-2-yl)methyl]guanidine is CC/N=C(\NN)N(C)Cc1ccc(C)o1.
What is the InChIKey of 3-amino-2-ethyl-1-methyl-1-[(5-methylfuran-2-yl)methyl]guanidine?
The InChIKey is LYODOFNHBNCQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-4-12-10(13-11)14(3)7-9-6-5-8(2)15-9/h5-6H,4,7,11H2,1-3H3,(H,12,13).
What are the key properties of 3-amino-2-ethyl-1-methyl-1-[(5-methylfuran-2-yl)methyl]guanidine?
3-amino-2-ethyl-1-methyl-1-[(5-methylfuran-2-yl)methyl]guanidine has a molecular weight of 210.28 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-ethyl-1-methyl-1-[(5-methylfuran-2-yl)methyl]guanidine is sourced from PubChem (CID 116513240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).