1-ethyl-3-(1-methoxypropan-2-yl)-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine

C16H34N4O — CID 111234307

IUPAC1-ethyl-3-(1-methoxypropan-2-yl)-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine
SMILESCCN/C(=N\CC(C)N1CCCC(C)C1)NC(C)COC
InChIInChI=1S/C16H34N4O/c1-6-17-16(19-14(3)12-21-5)18-10-15(4)20-9-7-8-13(2)11-20/h13-15H,6-12H2,1-5H3,(H2,17,18,19)
InChIKeyBVHYGRVGGJTDFC-UHFFFAOYSA-N
MW298.48 g/mol
LogP1.70
Rot. Bonds7

About 1-ethyl-3-(1-methoxypropan-2-yl)-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine

1-ethyl-3-(1-methoxypropan-2-yl)-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine (PubChem CID 111234307) has the molecular formula C16H34N4O and a molecular weight of 298.48 g/mol. Its IUPAC name is 1-ethyl-3-(1-methoxypropan-2-yl)-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-(1-methoxypropan-2-yl)-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine
PubChem CID111234307
Molecular FormulaC16H34N4O
Molecular Weight298.48 g/mol
Exact Mass298.27
IUPAC Name1-ethyl-3-(1-methoxypropan-2-yl)-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine
SMILESCCN/C(=N\CC(C)N1CCCC(C)C1)NC(C)COC
InChIInChI=1S/C16H34N4O/c1-6-17-16(19-14(3)12-21-5)18-10-15(4)20-9-7-8-13(2)11-20/h13-15H,6-12H2,1-5H3,(H2,17,18,19)
InChIKeyBVHYGRVGGJTDFC-UHFFFAOYSA-N
XLogP1.70
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.48
LogP ≤ 51.70
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-ethyl-2-[2-(3-methylpiperidin-1-yl)propyl]-3-prop-2-ynylguanidine
CID 111849107
1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine
CID 111652146
1-ethyl-3-(1-methoxypropan-2-yl)-2-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide
CID 111237234
1-ethyl-3-(1-methoxypropan-2-yl)-2-[(1-methylpyrrolidin-2-yl)methyl]guanidine;hydroiodide
CID 111235406
1-amino-3-(1-methoxypropan-2-yl)-2-(2-piperidin-1-ylpropyl)guanidine
CID 104885271
1-ethyl-3-(3-ethylsulfinylcyclohexyl)-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine
CID 109441033
1-ethyl-3-(3-hydroxy-2-phenylpropyl)-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 109410744
2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111234742
1-ethyl-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111532276
1-ethyl-3-(1-methoxypropan-2-yl)-2-(3-oxo-3-pyrrolidin-1-ylpropyl)guanidine
CID 111237031
1-[3-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]propyl]piperidine-3-carboxamide
CID 111235615
1-ethyl-3-(1-methoxypropan-2-yl)-2-[(1-propylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 111234888

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(1-methoxypropan-2-yl)-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine?
The IUPAC name of 1-ethyl-3-(1-methoxypropan-2-yl)-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine (CID 111234307) is 1-ethyl-3-(1-methoxypropan-2-yl)-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine.
What is the SMILES notation for 1-ethyl-3-(1-methoxypropan-2-yl)-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine?
The canonical SMILES for 1-ethyl-3-(1-methoxypropan-2-yl)-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine is CCN/C(=N\CC(C)N1CCCC(C)C1)NC(C)COC.
What is the InChIKey of 1-ethyl-3-(1-methoxypropan-2-yl)-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine?
The InChIKey is BVHYGRVGGJTDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4O/c1-6-17-16(19-14(3)12-21-5)18-10-15(4)20-9-7-8-13(2)11-20/h13-15H,6-12H2,1-5H3,(H2,17,18,19).
What are the key properties of 1-ethyl-3-(1-methoxypropan-2-yl)-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine?
1-ethyl-3-(1-methoxypropan-2-yl)-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine has a molecular weight of 298.48 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(1-methoxypropan-2-yl)-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine is sourced from PubChem (CID 111234307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).