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

C13H24N4O — CID 111027530

IUPAC1-tert-butyl-2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]guanidine
SMILESCN(C)C(C/N=C(\N)NC(C)(C)C)c1ccco1
InChIInChI=1S/C13H24N4O/c1-13(2,3)16-12(14)15-9-10(17(4)5)11-7-6-8-18-11/h6-8,10H,9H2,1-5H3,(H3,14,15,16)
InChIKeyBDXLVDJYLYBTHS-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.59
Rot. Bonds4

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

1-tert-butyl-2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]guanidine (PubChem CID 111027530) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-tert-butyl-2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-tert-butyl-2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]guanidine
PubChem CID111027530
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name1-tert-butyl-2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]guanidine
SMILESCN(C)C(C/N=C(\N)NC(C)(C)C)c1ccco1
InChIInChI=1S/C13H24N4O/c1-13(2,3)16-12(14)15-9-10(17(4)5)11-7-6-8-18-11/h6-8,10H,9H2,1-5H3,(H3,14,15,16)
InChIKeyBDXLVDJYLYBTHS-UHFFFAOYSA-N
XLogP1.59
TPSA66.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-butyl-2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]guanidine
CID 111027514
2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111027585
1-tert-butyl-2-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]guanidine;hydroiodide
CID 111074122
1-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 111027561
1-tert-butyl-2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethylguanidine
CID 110964281
2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-(4-methoxyphenyl)guanidine
CID 111078347
1-tert-butyl-2-[[2-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]methyl]guanidine
CID 111819150
2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-ethyl-3-(3-methylbutan-2-yl)guanidine
CID 111001951
2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-ethyl-3-(3-methylbutan-2-yl)guanidine;hydroiodide
CID 111001950
2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111078422
4-(4-chlorophenyl)-N'-[2-(dimethylamino)-2-(furan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111027583
1-tert-butyl-2-(2,3-diphenylpropyl)guanidine
CID 111799912

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]guanidine?
The IUPAC name of 1-tert-butyl-2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]guanidine (CID 111027530) is 1-tert-butyl-2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]guanidine.
What is the SMILES notation for 1-tert-butyl-2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]guanidine?
The canonical SMILES for 1-tert-butyl-2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]guanidine is CN(C)C(C/N=C(\N)NC(C)(C)C)c1ccco1.
What is the InChIKey of 1-tert-butyl-2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]guanidine?
The InChIKey is BDXLVDJYLYBTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-13(2,3)16-12(14)15-9-10(17(4)5)11-7-6-8-18-11/h6-8,10H,9H2,1-5H3,(H3,14,15,16).
What are the key properties of 1-tert-butyl-2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]guanidine?
1-tert-butyl-2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]guanidine has a molecular weight of 252.36 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]guanidine is sourced from PubChem (CID 111027530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).