1-tert-butyl-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine

C12H24N4O — CID 119116133

IUPAC1-tert-butyl-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
SMILESC/N=C(/NCC(=O)N1CCCC1)NC(C)(C)C
InChIInChI=1S/C12H24N4O/c1-12(2,3)15-11(13-4)14-9-10(17)16-7-5-6-8-16/h5-9H2,1-4H3,(H2,13,14,15)
InChIKeyTUKAJYAONGWDGD-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.57
Rot. Bonds2

About 1-tert-butyl-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine

1-tert-butyl-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine (PubChem CID 119116133) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-tert-butyl-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine.

Molecular Properties

Compound Name1-tert-butyl-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
PubChem CID119116133
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name1-tert-butyl-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
SMILESC/N=C(/NCC(=O)N1CCCC1)NC(C)(C)C
InChIInChI=1S/C12H24N4O/c1-12(2,3)15-11(13-4)14-9-10(17)16-7-5-6-8-16/h5-9H2,1-4H3,(H2,13,14,15)
InChIKeyTUKAJYAONGWDGD-UHFFFAOYSA-N
XLogP0.57
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.57
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

N-tert-butyl-2-[(N-tert-butyl-N'-methylcarbamimidoyl)amino]acetamide;hydroiodide
CID 110965911
1-butan-2-yl-2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)guanidine
CID 110943728
1-cyclohexyl-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 119115673
2-methyl-1-(2-oxo-2-piperidin-1-ylethyl)-3-pentylguanidine
CID 111129757
N-tert-butyl-2-[(N-methyl-C-piperidin-1-ylcarbonimidoyl)amino]acetamide
CID 75421284
2-methyl-1-(2-methyl-2-phenylpropyl)-3-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111947976
N-[2-(azocan-1-yl)-2-oxoethyl]-3,3-dimethylbutanamide
CID 86828606
N-tert-butyl-2-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]acetamide
CID 111124289
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)guanidine
CID 111261069
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)guanidine
CID 111594188
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 119134110
N-tert-butyl-2-[(N,N'-dimethylcarbamimidoyl)amino]acetamide
CID 75532327

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine?
The IUPAC name of 1-tert-butyl-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine (CID 119116133) is 1-tert-butyl-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine.
What is the SMILES notation for 1-tert-butyl-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine?
The canonical SMILES for 1-tert-butyl-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine is C/N=C(/NCC(=O)N1CCCC1)NC(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine?
The InChIKey is TUKAJYAONGWDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-12(2,3)15-11(13-4)14-9-10(17)16-7-5-6-8-16/h5-9H2,1-4H3,(H2,13,14,15).
What are the key properties of 1-tert-butyl-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine?
1-tert-butyl-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine has a molecular weight of 240.35 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine is sourced from PubChem (CID 119116133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).