1-butyl-2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]guanidine

C13H24N4O — CID 111027514

IUPAC1-butyl-2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]guanidine
SMILESCCCCN/C(N)=N/CC(c1ccco1)N(C)C
InChIInChI=1S/C13H24N4O/c1-4-5-8-15-13(14)16-10-11(17(2)3)12-7-6-9-18-12/h6-7,9,11H,4-5,8,10H2,1-3H3,(H3,14,15,16)
InChIKeyMZGKOJUYICFFIN-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.59
Rot. Bonds7

About 1-butyl-2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]guanidine

1-butyl-2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]guanidine (PubChem CID 111027514) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-butyl-2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-butyl-2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]guanidine
PubChem CID111027514
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name1-butyl-2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]guanidine
SMILESCCCCN/C(N)=N/CC(c1ccco1)N(C)C
InChIInChI=1S/C13H24N4O/c1-4-5-8-15-13(14)16-10-11(17(2)3)12-7-6-9-18-12/h6-7,9,11H,4-5,8,10H2,1-3H3,(H3,14,15,16)
InChIKeyMZGKOJUYICFFIN-UHFFFAOYSA-N
XLogP1.59
TPSA66.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine
CID 111058198
1-tert-butyl-2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]guanidine
CID 111027530
1-butyl-2-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]guanidine
CID 95329279
2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-ethyl-3-(3-methylbutan-2-yl)guanidine
CID 111001951
1-butyl-2-[2-(N-methylanilino)propyl]guanidine
CID 111056401
2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-ethyl-3-(3-methylbutan-2-yl)guanidine;hydroiodide
CID 111001950
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-hexyl-2-methylguanidine
CID 111161109
2-(furan-2-ylmethyl)-1-octylguanidine
CID 111022361
2-(furan-2-ylmethyl)-1-hexylguanidine
CID 110914351
2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111027585
2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-ethyl-3-(2-phenylethyl)guanidine
CID 111134143
1-butyl-2-(2-phenylpropyl)guanidine;hydroiodide
CID 111030277

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]guanidine?
The IUPAC name of 1-butyl-2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]guanidine (CID 111027514) is 1-butyl-2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]guanidine.
What is the SMILES notation for 1-butyl-2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]guanidine?
The canonical SMILES for 1-butyl-2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]guanidine is CCCCN/C(N)=N/CC(c1ccco1)N(C)C.
What is the InChIKey of 1-butyl-2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]guanidine?
The InChIKey is MZGKOJUYICFFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-4-5-8-15-13(14)16-10-11(17(2)3)12-7-6-9-18-12/h6-7,9,11H,4-5,8,10H2,1-3H3,(H3,14,15,16).
What are the key properties of 1-butyl-2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]guanidine?
1-butyl-2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]guanidine has a molecular weight of 252.36 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]guanidine is sourced from PubChem (CID 111027514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).