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

C10H18N4O — CID 116511400

IUPAC1-amino-2-(furan-2-ylmethyl)-3-(2-methylpropyl)guanidine
SMILESCC(C)CN/C(=N\Cc1ccco1)NN
InChIInChI=1S/C10H18N4O/c1-8(2)6-12-10(14-11)13-7-9-4-3-5-15-9/h3-5,8H,6-7,11H2,1-2H3,(H2,12,13,14)
InChIKeySRTZVEDOMZKREU-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.84
Rot. Bonds4

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

1-amino-2-(furan-2-ylmethyl)-3-(2-methylpropyl)guanidine (PubChem CID 116511400) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-amino-2-(furan-2-ylmethyl)-3-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-amino-2-(furan-2-ylmethyl)-3-(2-methylpropyl)guanidine
PubChem CID116511400
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name1-amino-2-(furan-2-ylmethyl)-3-(2-methylpropyl)guanidine
SMILESCC(C)CN/C(=N\Cc1ccco1)NN
InChIInChI=1S/C10H18N4O/c1-8(2)6-12-10(14-11)13-7-9-4-3-5-15-9/h3-5,8H,6-7,11H2,1-2H3,(H2,12,13,14)
InChIKeySRTZVEDOMZKREU-UHFFFAOYSA-N
XLogP0.84
TPSA75.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.84
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-2-(furan-2-ylmethyl)-3-(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

1-amino-3-ethyl-2-(furan-2-ylmethyl)guanidine
CID 116511394
1-[2-(furan-2-yl)ethyl]-2-(furan-2-ylmethyl)-3-(2-methylpropyl)guanidine
CID 111491474
1-amino-3-butyl-2-(furan-2-ylmethyl)guanidine
CID 116511392
1-amino-2-[(5-ethylthiophen-2-yl)methyl]-3-(2-methylpropyl)guanidine
CID 106013210
1-ethyl-2-(furan-2-ylmethyl)-3-propan-2-ylguanidine;hydroiodide
CID 111126807
2-[(4-fluorophenyl)methyl]-1-[2-(furan-2-yl)ethyl]-3-(2-methylpropyl)guanidine;hydroiodide
CID 111753590
1-ethyl-3-[2-(furan-2-yl)-2-hydroxyethyl]-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 110937529
1-ethyl-2-(furan-2-ylmethyl)-3-(2-thiophen-2-ylpropyl)guanidine
CID 111790014
1-ethyl-2,3-bis(furan-2-ylmethyl)guanidine
CID 110938014
1-butan-2-yl-3-[2-(furan-2-yl)ethyl]-2-(furan-2-ylmethyl)guanidine
CID 111491446
1-ethyl-3-[2-(4-fluorophenyl)-2-methoxyethyl]-2-(furan-2-ylmethyl)guanidine
CID 111544295
1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine
CID 110938826

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(furan-2-ylmethyl)-3-(2-methylpropyl)guanidine?
The IUPAC name of 1-amino-2-(furan-2-ylmethyl)-3-(2-methylpropyl)guanidine (CID 116511400) is 1-amino-2-(furan-2-ylmethyl)-3-(2-methylpropyl)guanidine.
What is the SMILES notation for 1-amino-2-(furan-2-ylmethyl)-3-(2-methylpropyl)guanidine?
The canonical SMILES for 1-amino-2-(furan-2-ylmethyl)-3-(2-methylpropyl)guanidine is CC(C)CN/C(=N\Cc1ccco1)NN.
What is the InChIKey of 1-amino-2-(furan-2-ylmethyl)-3-(2-methylpropyl)guanidine?
The InChIKey is SRTZVEDOMZKREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-8(2)6-12-10(14-11)13-7-9-4-3-5-15-9/h3-5,8H,6-7,11H2,1-2H3,(H2,12,13,14).
What are the key properties of 1-amino-2-(furan-2-ylmethyl)-3-(2-methylpropyl)guanidine?
1-amino-2-(furan-2-ylmethyl)-3-(2-methylpropyl)guanidine has a molecular weight of 210.28 g/mol, XLogP of 0.84, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(furan-2-ylmethyl)-3-(2-methylpropyl)guanidine is sourced from PubChem (CID 116511400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).