2-ethyl-1-(furan-3-ylmethyl)-1-methylguanidine

C9H15N3O — CID 62379462

IUPAC2-ethyl-1-(furan-3-ylmethyl)-1-methylguanidine
SMILESCC/N=C(\N)N(C)Cc1ccoc1
InChIInChI=1S/C9H15N3O/c1-3-11-9(10)12(2)6-8-4-5-13-7-8/h4-5,7H,3,6H2,1-2H3,(H2,10,11)
InChIKeyYMEDXMFIJCMTTL-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.05
Rot. Bonds3

About 2-ethyl-1-(furan-3-ylmethyl)-1-methylguanidine

2-ethyl-1-(furan-3-ylmethyl)-1-methylguanidine (PubChem CID 62379462) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-ethyl-1-(furan-3-ylmethyl)-1-methylguanidine.

Molecular Properties

Compound Name2-ethyl-1-(furan-3-ylmethyl)-1-methylguanidine
PubChem CID62379462
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-ethyl-1-(furan-3-ylmethyl)-1-methylguanidine
SMILESCC/N=C(\N)N(C)Cc1ccoc1
InChIInChI=1S/C9H15N3O/c1-3-11-9(10)12(2)6-8-4-5-13-7-8/h4-5,7H,3,6H2,1-2H3,(H2,10,11)
InChIKeyYMEDXMFIJCMTTL-UHFFFAOYSA-N
XLogP1.05
TPSA54.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.05
H-Bond Donors ≤ 51
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-ethyl-1-methyl-1-[(3-methylphenyl)methyl]guanidine
CID 62363437
1-[(3-bromophenyl)methyl]-2-ethyl-1-methylguanidine
CID 62362557
(2R)-2-amino-N-(furan-3-ylmethyl)-N-methylpropanamide
CID 78973579
1-(furan-3-ylmethyl)-3-hydroxy-1-methylurea
CID 54330793
2-ethoxy-N-(furan-3-ylmethyl)-N-methylacetamide
CID 61216289
2-ethyl-2-N-(furan-3-ylmethyl)-2-N-methylbutane-1,2-diamine
CID 61422931
N-(furan-3-ylmethyl)-N,3-dimethylbutanamide
CID 110868913
N-(furan-3-ylmethyl)-N,3,3-trimethylbutanamide
CID 110868951
N-(furan-3-ylmethyl)-N-methyl-2-sulfanylpropanamide
CID 107024417
ethyl 2-[[furan-3-ylmethyl(methyl)carbamoyl]amino]acetate
CID 47337990
3-butyl-1-(furan-3-ylmethyl)-1-methylthiourea
CID 115590143
3-(ethylamino)-N-(furan-3-ylmethyl)-N-methylpropanamide
CID 62834996

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(furan-3-ylmethyl)-1-methylguanidine?
The IUPAC name of 2-ethyl-1-(furan-3-ylmethyl)-1-methylguanidine (CID 62379462) is 2-ethyl-1-(furan-3-ylmethyl)-1-methylguanidine.
What is the SMILES notation for 2-ethyl-1-(furan-3-ylmethyl)-1-methylguanidine?
The canonical SMILES for 2-ethyl-1-(furan-3-ylmethyl)-1-methylguanidine is CC/N=C(\N)N(C)Cc1ccoc1.
What is the InChIKey of 2-ethyl-1-(furan-3-ylmethyl)-1-methylguanidine?
The InChIKey is YMEDXMFIJCMTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-3-11-9(10)12(2)6-8-4-5-13-7-8/h4-5,7H,3,6H2,1-2H3,(H2,10,11).
What are the key properties of 2-ethyl-1-(furan-3-ylmethyl)-1-methylguanidine?
2-ethyl-1-(furan-3-ylmethyl)-1-methylguanidine has a molecular weight of 181.24 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(furan-3-ylmethyl)-1-methylguanidine is sourced from PubChem (CID 62379462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).