3-N'-(furan-2-ylmethyl)propanediimidamide

C8H12N4O — CID 10442294

IUPAC3-N'-(furan-2-ylmethyl)propanediimidamide
SMILES[H]/N=C(\N)C/C(N)=N/Cc1ccco1
InChIInChI=1S/C8H12N4O/c9-7(10)4-8(11)12-5-6-2-1-3-13-6/h1-3H,4-5H2,(H3,9,10)(H2,11,12)
InChIKeyRFHXWTZRDNXUOK-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.46
Rot. Bonds4

About 3-N'-(furan-2-ylmethyl)propanediimidamide

3-N'-(furan-2-ylmethyl)propanediimidamide (PubChem CID 10442294) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 3-N'-(furan-2-ylmethyl)propanediimidamide.

Molecular Properties

Compound Name3-N'-(furan-2-ylmethyl)propanediimidamide
PubChem CID10442294
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name3-N'-(furan-2-ylmethyl)propanediimidamide
SMILES[H]/N=C(\N)C/C(N)=N/Cc1ccco1
InChIInChI=1S/C8H12N4O/c9-7(10)4-8(11)12-5-6-2-1-3-13-6/h1-3H,4-5H2,(H3,9,10)(H2,11,12)
InChIKeyRFHXWTZRDNXUOK-UHFFFAOYSA-N
XLogP0.46
TPSA101.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(furan-2-ylmethyl)-1-propylguanidine
CID 62362161
1-amino-3-ethyl-2-(furan-2-ylmethyl)guanidine
CID 116511394
2-(furan-2-ylmethyl)-1-octylguanidine
CID 111022361
2-(furan-2-ylmethyl)-1-hexylguanidine
CID 110914351
2-[N'-(furan-2-ylmethyl)carbamimidoyl]-1,1-dimethylguanidine;hydrochloride
CID 53307570
3-(diaminomethylidene)-1,1-bis(furan-2-ylmethyl)guanidine
CID 11971724
1-(cyclobutylmethyl)-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 110918899
1-(2,6-diethylphenyl)-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 111022365
N-(ethoxymethyl)-N'-(furan-2-ylmethyl)ethanimidamide
CID 143835307
1-[1-(2,4-dichlorophenyl)ethyl]-2-(furan-2-ylmethyl)guanidine
CID 111022400
1-amino-2-(furan-2-ylmethyl)-3-(2-methylpropyl)guanidine
CID 116511400
2-(furan-2-ylmethoxy)benzenecarboximidamide
CID 28601541

Frequently Asked Questions

What is the IUPAC name of 3-N'-(furan-2-ylmethyl)propanediimidamide?
The IUPAC name of 3-N'-(furan-2-ylmethyl)propanediimidamide (CID 10442294) is 3-N'-(furan-2-ylmethyl)propanediimidamide.
What is the SMILES notation for 3-N'-(furan-2-ylmethyl)propanediimidamide?
The canonical SMILES for 3-N'-(furan-2-ylmethyl)propanediimidamide is [H]/N=C(\N)C/C(N)=N/Cc1ccco1.
What is the InChIKey of 3-N'-(furan-2-ylmethyl)propanediimidamide?
The InChIKey is RFHXWTZRDNXUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c9-7(10)4-8(11)12-5-6-2-1-3-13-6/h1-3H,4-5H2,(H3,9,10)(H2,11,12).
What are the key properties of 3-N'-(furan-2-ylmethyl)propanediimidamide?
3-N'-(furan-2-ylmethyl)propanediimidamide has a molecular weight of 180.21 g/mol, XLogP of 0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N'-(furan-2-ylmethyl)propanediimidamide is sourced from PubChem (CID 10442294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).