1-ethyl-3-[2-[ethyl(propyl)amino]ethyl]-2-(furan-2-ylmethyl)guanidine

C15H28N4O — CID 111833695

IUPAC1-ethyl-3-[2-[ethyl(propyl)amino]ethyl]-2-(furan-2-ylmethyl)guanidine
SMILESCCCN(CC)CCN/C(=N/Cc1ccco1)NCC
InChIInChI=1S/C15H28N4O/c1-4-10-19(6-3)11-9-17-15(16-5-2)18-13-14-8-7-12-20-14/h7-8,12H,4-6,9-11,13H2,1-3H3,(H2,16,17,18)
InChIKeySUVMSHWOFHXOQQ-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.07
Rot. Bonds9

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

1-ethyl-3-[2-[ethyl(propyl)amino]ethyl]-2-(furan-2-ylmethyl)guanidine (PubChem CID 111833695) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 1-ethyl-3-[2-[ethyl(propyl)amino]ethyl]-2-(furan-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-[2-[ethyl(propyl)amino]ethyl]-2-(furan-2-ylmethyl)guanidine
PubChem CID111833695
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name1-ethyl-3-[2-[ethyl(propyl)amino]ethyl]-2-(furan-2-ylmethyl)guanidine
SMILESCCCN(CC)CCN/C(=N/Cc1ccco1)NCC
InChIInChI=1S/C15H28N4O/c1-4-10-19(6-3)11-9-17-15(16-5-2)18-13-14-8-7-12-20-14/h7-8,12H,4-6,9-11,13H2,1-3H3,(H2,16,17,18)
InChIKeySUVMSHWOFHXOQQ-UHFFFAOYSA-N
XLogP2.07
TPSA52.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.07
H-Bond Donors ≤ 52
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

1-ethyl-3-[2-[ethyl(propyl)amino]ethyl]-2-[3-(furan-2-ylmethoxy)propyl]guanidine
CID 111840013
1-ethyl-2,3-bis(furan-2-ylmethyl)guanidine
CID 110938014
1-ethyl-3-[3-[ethyl(methylsulfonyl)amino]propyl]-2-(furan-2-ylmethyl)guanidine
CID 110938928
1-ethyl-2-(furan-2-ylmethyl)-3-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine
CID 111650654
1-ethyl-3-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-(furan-2-ylmethyl)guanidine
CID 111968007
1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]-2-(furan-2-ylmethyl)guanidine
CID 110937454
1-ethyl-3-[2-[ethyl(propyl)amino]ethyl]-2-[(2-fluorophenyl)methyl]guanidine;hydroiodide
CID 111837364
1-amino-3-ethyl-2-(furan-2-ylmethyl)guanidine
CID 116511394
1-(2-cyclopropylethyl)-3-ethyl-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 111604926
1-ethyl-2-(furan-2-ylmethyl)-3-propan-2-ylguanidine;hydroiodide
CID 111126807
1-tert-butyl-3-ethyl-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 110965775
2-[[3-(diethylaminomethyl)phenyl]methyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine
CID 111356164

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-[ethyl(propyl)amino]ethyl]-2-(furan-2-ylmethyl)guanidine?
The IUPAC name of 1-ethyl-3-[2-[ethyl(propyl)amino]ethyl]-2-(furan-2-ylmethyl)guanidine (CID 111833695) is 1-ethyl-3-[2-[ethyl(propyl)amino]ethyl]-2-(furan-2-ylmethyl)guanidine.
What is the SMILES notation for 1-ethyl-3-[2-[ethyl(propyl)amino]ethyl]-2-(furan-2-ylmethyl)guanidine?
The canonical SMILES for 1-ethyl-3-[2-[ethyl(propyl)amino]ethyl]-2-(furan-2-ylmethyl)guanidine is CCCN(CC)CCN/C(=N/Cc1ccco1)NCC.
What is the InChIKey of 1-ethyl-3-[2-[ethyl(propyl)amino]ethyl]-2-(furan-2-ylmethyl)guanidine?
The InChIKey is SUVMSHWOFHXOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-4-10-19(6-3)11-9-17-15(16-5-2)18-13-14-8-7-12-20-14/h7-8,12H,4-6,9-11,13H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-ethyl-3-[2-[ethyl(propyl)amino]ethyl]-2-(furan-2-ylmethyl)guanidine?
1-ethyl-3-[2-[ethyl(propyl)amino]ethyl]-2-(furan-2-ylmethyl)guanidine has a molecular weight of 280.42 g/mol, XLogP of 2.07, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-[ethyl(propyl)amino]ethyl]-2-(furan-2-ylmethyl)guanidine is sourced from PubChem (CID 111833695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).