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

C8H14N4O — CID 116511394

IUPAC1-amino-3-ethyl-2-(furan-2-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1ccco1)NN
InChIInChI=1S/C8H14N4O/c1-2-10-8(12-9)11-6-7-4-3-5-13-7/h3-5H,2,6,9H2,1H3,(H2,10,11,12)
InChIKeyBXWGIZKVXQEKKS-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.21
Rot. Bonds3

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

1-amino-3-ethyl-2-(furan-2-ylmethyl)guanidine (PubChem CID 116511394) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 1-amino-3-ethyl-2-(furan-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-amino-3-ethyl-2-(furan-2-ylmethyl)guanidine
PubChem CID116511394
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name1-amino-3-ethyl-2-(furan-2-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1ccco1)NN
InChIInChI=1S/C8H14N4O/c1-2-10-8(12-9)11-6-7-4-3-5-13-7/h3-5H,2,6,9H2,1H3,(H2,10,11,12)
InChIKeyBXWGIZKVXQEKKS-UHFFFAOYSA-N
XLogP0.21
TPSA75.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.21
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'}

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Related Compounds

1-amino-3-butyl-2-(furan-2-ylmethyl)guanidine
CID 116511392
1-ethyl-2,3-bis(furan-2-ylmethyl)guanidine
CID 110938014
1-amino-2-(furan-2-ylmethyl)-3-(2-methylpropyl)guanidine
CID 116511400
1-tert-butyl-3-ethyl-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 110965775
1-ethyl-2-(furan-2-ylmethyl)-3-propan-2-ylguanidine;hydroiodide
CID 111126807
1-ethyl-3-[2-(furan-2-yl)-2-hydroxyethyl]-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 110937529
1-ethyl-2-(furan-2-ylmethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]guanidine
CID 111965367
1-(2-cyclopropylethyl)-3-ethyl-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 111604926
1-ethyl-2-(furan-2-ylmethyl)-3-(2-methyl-2-methylsulfanylpropyl)guanidine;hydroiodide
CID 111611589
1-ethyl-3-[2-[ethyl(propyl)amino]ethyl]-2-(furan-2-ylmethyl)guanidine
CID 111833695
1-[2-(4-chlorophenyl)ethyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine
CID 110938060
1-ethyl-2-(furan-2-ylmethyl)-3-[2-(2-methoxyethoxy)ethyl]guanidine
CID 110937490

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-ethyl-2-(furan-2-ylmethyl)guanidine?
The IUPAC name of 1-amino-3-ethyl-2-(furan-2-ylmethyl)guanidine (CID 116511394) is 1-amino-3-ethyl-2-(furan-2-ylmethyl)guanidine.
What is the SMILES notation for 1-amino-3-ethyl-2-(furan-2-ylmethyl)guanidine?
The canonical SMILES for 1-amino-3-ethyl-2-(furan-2-ylmethyl)guanidine is CCN/C(=N\Cc1ccco1)NN.
What is the InChIKey of 1-amino-3-ethyl-2-(furan-2-ylmethyl)guanidine?
The InChIKey is BXWGIZKVXQEKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-2-10-8(12-9)11-6-7-4-3-5-13-7/h3-5H,2,6,9H2,1H3,(H2,10,11,12).
What are the key properties of 1-amino-3-ethyl-2-(furan-2-ylmethyl)guanidine?
1-amino-3-ethyl-2-(furan-2-ylmethyl)guanidine has a molecular weight of 182.23 g/mol, XLogP of 0.21, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-ethyl-2-(furan-2-ylmethyl)guanidine is sourced from PubChem (CID 116511394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).