1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-(2-oxo-2-piperidin-1-ylethyl)guanidine

C15H28N4O2 — CID 109382506

IUPAC1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-(2-oxo-2-piperidin-1-ylethyl)guanidine
SMILESC/N=C(/NCC(=O)N1CCCCC1)N(C)CC1CCOC1
InChIInChI=1S/C15H28N4O2/c1-16-15(18(2)11-13-6-9-21-12-13)17-10-14(20)19-7-4-3-5-8-19/h13H,3-12H2,1-2H3,(H,16,17)
InChIKeyQCCFBJVUFROGLX-UHFFFAOYSA-N
MW296.41 g/mol
LogP0.54
Rot. Bonds4

About 1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-(2-oxo-2-piperidin-1-ylethyl)guanidine

1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-(2-oxo-2-piperidin-1-ylethyl)guanidine (PubChem CID 109382506) has the molecular formula C15H28N4O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-(2-oxo-2-piperidin-1-ylethyl)guanidine.

Molecular Properties

Compound Name1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-(2-oxo-2-piperidin-1-ylethyl)guanidine
PubChem CID109382506
Molecular FormulaC15H28N4O2
Molecular Weight296.41 g/mol
Exact Mass296.22
IUPAC Name1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-(2-oxo-2-piperidin-1-ylethyl)guanidine
SMILESC/N=C(/NCC(=O)N1CCCCC1)N(C)CC1CCOC1
InChIInChI=1S/C15H28N4O2/c1-16-15(18(2)11-13-6-9-21-12-13)17-10-14(20)19-7-4-3-5-8-19/h13H,3-12H2,1-2H3,(H,16,17)
InChIKeyQCCFBJVUFROGLX-UHFFFAOYSA-N
XLogP0.54
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 50.54
H-Bond Donors ≤ 51
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

2-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 109383412
2-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 109383827
2-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 109383828
N-methyl-2-[[N'-methyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]carbamimidoyl]amino]-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 112056231
N-methyl-2-[[N'-methyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]carbamimidoyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 112056232
2-[[ethylamino-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 112056244
2-[[ethylamino-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 112056245
2-[[C-[3-(ethoxymethyl)pyrrolidin-1-yl]-N-methylcarbonimidoyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 112057524
2-[[C-[3-(ethoxymethyl)pyrrolidin-1-yl]-N-methylcarbonimidoyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 112057525
N,N-dimethyl-2-[[(oxolan-3-ylmethylamino)-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]methylidene]amino]acetamide;hydroiodide
CID 112402548
N,N-dimethyl-2-[[(oxolan-3-ylmethylamino)-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]methylidene]amino]acetamide
CID 112402549
N,N-dimethyl-2-[[(oxolan-3-ylmethylamino)-(5,5,5-trifluoropentylamino)methylidene]amino]acetamide
CID 112440506

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-(2-oxo-2-piperidin-1-ylethyl)guanidine?
The IUPAC name of 1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-(2-oxo-2-piperidin-1-ylethyl)guanidine (CID 109382506) is 1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-(2-oxo-2-piperidin-1-ylethyl)guanidine.
What is the SMILES notation for 1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-(2-oxo-2-piperidin-1-ylethyl)guanidine?
The canonical SMILES for 1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-(2-oxo-2-piperidin-1-ylethyl)guanidine is C/N=C(/NCC(=O)N1CCCCC1)N(C)CC1CCOC1.
What is the InChIKey of 1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-(2-oxo-2-piperidin-1-ylethyl)guanidine?
The InChIKey is QCCFBJVUFROGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-16-15(18(2)11-13-6-9-21-12-13)17-10-14(20)19-7-4-3-5-8-19/h13H,3-12H2,1-2H3,(H,16,17).
What are the key properties of 1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-(2-oxo-2-piperidin-1-ylethyl)guanidine?
1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-(2-oxo-2-piperidin-1-ylethyl)guanidine has a molecular weight of 296.41 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-(2-oxo-2-piperidin-1-ylethyl)guanidine is sourced from PubChem (CID 109382506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).