1-ethyl-2-[2-(3-methylpiperidin-1-yl)propyl]-3-prop-2-ynylguanidine

C15H28N4 — CID 111849107

IUPAC1-ethyl-2-[2-(3-methylpiperidin-1-yl)propyl]-3-prop-2-ynylguanidine
SMILESC#CCN/C(=N/CC(C)N1CCCC(C)C1)NCC
InChIInChI=1S/C15H28N4/c1-5-9-17-15(16-6-2)18-11-14(4)19-10-7-8-13(3)12-19/h1,13-14H,6-12H2,2-4H3,(H2,16,17,18)
InChIKeyZNGIUSGNYXHIKU-UHFFFAOYSA-N
MW264.42 g/mol
LogP1.30
Rot. Bonds5

About 1-ethyl-2-[2-(3-methylpiperidin-1-yl)propyl]-3-prop-2-ynylguanidine

1-ethyl-2-[2-(3-methylpiperidin-1-yl)propyl]-3-prop-2-ynylguanidine (PubChem CID 111849107) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 1-ethyl-2-[2-(3-methylpiperidin-1-yl)propyl]-3-prop-2-ynylguanidine.

Molecular Properties

Compound Name1-ethyl-2-[2-(3-methylpiperidin-1-yl)propyl]-3-prop-2-ynylguanidine
PubChem CID111849107
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name1-ethyl-2-[2-(3-methylpiperidin-1-yl)propyl]-3-prop-2-ynylguanidine
SMILESC#CCN/C(=N/CC(C)N1CCCC(C)C1)NCC
InChIInChI=1S/C15H28N4/c1-5-9-17-15(16-6-2)18-11-14(4)19-10-7-8-13(3)12-19/h1,13-14H,6-12H2,2-4H3,(H2,16,17,18)
InChIKeyZNGIUSGNYXHIKU-UHFFFAOYSA-N
XLogP1.30
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 51.30
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-(1-methoxypropan-2-yl)-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine
CID 111234307
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
1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine
CID 111652146
1-ethyl-2-[(1-propan-2-ylpiperidin-3-yl)methyl]-3-prop-2-ynylguanidine;hydroiodide
CID 111849352
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-2-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-prop-2-ynylguanidine
CID 111849934
1-cyclopentyl-3-ethyl-2-[2-(4-methylpiperidin-1-yl)propyl]guanidine
CID 110990487
1-butyl-3-ethyl-2-[2-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111149681
N-ethyl-4-(3-methylpiperidin-1-yl)pentan-2-amine
CID 64705920
1-ethyl-3-[2-(3-methylpiperidin-1-yl)propyl]-2-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111955287
4-methyl-N'-[2-(3-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 110920030

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(3-methylpiperidin-1-yl)propyl]-3-prop-2-ynylguanidine?
The IUPAC name of 1-ethyl-2-[2-(3-methylpiperidin-1-yl)propyl]-3-prop-2-ynylguanidine (CID 111849107) is 1-ethyl-2-[2-(3-methylpiperidin-1-yl)propyl]-3-prop-2-ynylguanidine.
What is the SMILES notation for 1-ethyl-2-[2-(3-methylpiperidin-1-yl)propyl]-3-prop-2-ynylguanidine?
The canonical SMILES for 1-ethyl-2-[2-(3-methylpiperidin-1-yl)propyl]-3-prop-2-ynylguanidine is C#CCN/C(=N/CC(C)N1CCCC(C)C1)NCC.
What is the InChIKey of 1-ethyl-2-[2-(3-methylpiperidin-1-yl)propyl]-3-prop-2-ynylguanidine?
The InChIKey is ZNGIUSGNYXHIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-5-9-17-15(16-6-2)18-11-14(4)19-10-7-8-13(3)12-19/h1,13-14H,6-12H2,2-4H3,(H2,16,17,18).
What are the key properties of 1-ethyl-2-[2-(3-methylpiperidin-1-yl)propyl]-3-prop-2-ynylguanidine?
1-ethyl-2-[2-(3-methylpiperidin-1-yl)propyl]-3-prop-2-ynylguanidine has a molecular weight of 264.42 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(3-methylpiperidin-1-yl)propyl]-3-prop-2-ynylguanidine is sourced from PubChem (CID 111849107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).