1-butan-2-yl-2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)guanidine

C13H26N4O — CID 110943728

IUPAC1-butan-2-yl-2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)guanidine
SMILESCCC(C)N/C(=N\C)NCC(=O)N1CCCCC1
InChIInChI=1S/C13H26N4O/c1-4-11(2)16-13(14-3)15-10-12(18)17-8-6-5-7-9-17/h11H,4-10H2,1-3H3,(H2,14,15,16)
InChIKeyREHKTGBBERIDOG-UHFFFAOYSA-N
MW254.38 g/mol
LogP0.96
Rot. Bonds4

About 1-butan-2-yl-2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)guanidine

1-butan-2-yl-2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)guanidine (PubChem CID 110943728) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-butan-2-yl-2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)guanidine.

Molecular Properties

Compound Name1-butan-2-yl-2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)guanidine
PubChem CID110943728
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name1-butan-2-yl-2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)guanidine
SMILESCCC(C)N/C(=N\C)NCC(=O)N1CCCCC1
InChIInChI=1S/C13H26N4O/c1-4-11(2)16-13(14-3)15-10-12(18)17-8-6-5-7-9-17/h11H,4-10H2,1-3H3,(H2,14,15,16)
InChIKeyREHKTGBBERIDOG-UHFFFAOYSA-N
XLogP0.96
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 50.96
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

1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 110998186
2-methyl-1-(2-oxo-2-piperidin-1-ylethyl)-3-pentylguanidine
CID 111129757
1-tert-butyl-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 119116133
1-cyclohexyl-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 119115673
1-butan-2-yl-3-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 110945721
1-(azocan-1-yl)-2-(butan-2-ylamino)ethanone
CID 60671529
N-butan-2-yl-4-[[[ethylamino-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]methylidene]amino]methyl]benzamide
CID 111928681
1-[1-(2,4-dichlorophenyl)ethyl]-2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111310277
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)guanidine
CID 111261069
2-methyl-1-(3-methyl-2-morpholin-4-ylbutyl)-3-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111930476
1-ethyl-3-(2-oxo-2-piperidin-1-ylethyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111929192
N-butan-2-ylpyrrolidine-1-carboxamide
CID 17217776

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)guanidine?
The IUPAC name of 1-butan-2-yl-2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)guanidine (CID 110943728) is 1-butan-2-yl-2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)guanidine.
What is the SMILES notation for 1-butan-2-yl-2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)guanidine?
The canonical SMILES for 1-butan-2-yl-2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)guanidine is CCC(C)N/C(=N\C)NCC(=O)N1CCCCC1.
What is the InChIKey of 1-butan-2-yl-2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)guanidine?
The InChIKey is REHKTGBBERIDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-4-11(2)16-13(14-3)15-10-12(18)17-8-6-5-7-9-17/h11H,4-10H2,1-3H3,(H2,14,15,16).
What are the key properties of 1-butan-2-yl-2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)guanidine?
1-butan-2-yl-2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)guanidine has a molecular weight of 254.38 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)guanidine is sourced from PubChem (CID 110943728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).