2-(furan-2-ylmethyl)-1-propylguanidine

C9H15N3O — CID 62362161

IUPAC2-(furan-2-ylmethyl)-1-propylguanidine
SMILESCCCN/C(N)=N/Cc1ccco1
InChIInChI=1S/C9H15N3O/c1-2-5-11-9(10)12-7-8-4-3-6-13-8/h3-4,6H,2,5,7H2,1H3,(H3,10,11,12)
InChIKeyMLZSSTFMOZUZRX-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.09
Rot. Bonds4

About 2-(furan-2-ylmethyl)-1-propylguanidine

2-(furan-2-ylmethyl)-1-propylguanidine (PubChem CID 62362161) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-(furan-2-ylmethyl)-1-propylguanidine.

Molecular Properties

Compound Name2-(furan-2-ylmethyl)-1-propylguanidine
PubChem CID62362161
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-(furan-2-ylmethyl)-1-propylguanidine
SMILESCCCN/C(N)=N/Cc1ccco1
InChIInChI=1S/C9H15N3O/c1-2-5-11-9(10)12-7-8-4-3-6-13-8/h3-4,6H,2,5,7H2,1H3,(H3,10,11,12)
InChIKeyMLZSSTFMOZUZRX-UHFFFAOYSA-N
XLogP1.09
TPSA63.55 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-octylguanidine
CID 111022361
2-(furan-2-ylmethyl)-1-hexylguanidine
CID 110914351
1-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-(furan-2-ylmethyl)guanidine
CID 95278707
1-amino-3-butyl-2-(furan-2-ylmethyl)guanidine
CID 116511392
N'-(furan-2-ylmethyl)-N-propylpyrrolidine-1-carboximidamide;hydroiodide
CID 71925851
1-(cyclobutylmethyl)-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 110918899
1-(2,6-diethylphenyl)-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 111022365
1-amino-3-ethyl-2-(furan-2-ylmethyl)guanidine
CID 116511394
1-[2-(furan-2-yl)ethyl]-2-(2-methoxyethyl)guanidine
CID 110913806
2-[(2-methylphenyl)methyl]-1-propylguanidine;hydroiodide
CID 110912166
1-ethyl-2,3-bis(furan-2-ylmethyl)guanidine
CID 110938014
1-tert-butyl-3-ethyl-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 110965775

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethyl)-1-propylguanidine?
The IUPAC name of 2-(furan-2-ylmethyl)-1-propylguanidine (CID 62362161) is 2-(furan-2-ylmethyl)-1-propylguanidine.
What is the SMILES notation for 2-(furan-2-ylmethyl)-1-propylguanidine?
The canonical SMILES for 2-(furan-2-ylmethyl)-1-propylguanidine is CCCN/C(N)=N/Cc1ccco1.
What is the InChIKey of 2-(furan-2-ylmethyl)-1-propylguanidine?
The InChIKey is MLZSSTFMOZUZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-2-5-11-9(10)12-7-8-4-3-6-13-8/h3-4,6H,2,5,7H2,1H3,(H3,10,11,12).
What are the key properties of 2-(furan-2-ylmethyl)-1-propylguanidine?
2-(furan-2-ylmethyl)-1-propylguanidine has a molecular weight of 181.24 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethyl)-1-propylguanidine is sourced from PubChem (CID 62362161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).