1-ethyl-2-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(2-pyridin-2-ylethyl)guanidine

C19H33N5 — CID 111567749

IUPAC1-ethyl-2-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(2-pyridin-2-ylethyl)guanidine
SMILESCCN/C(=N\CCN1CCCCC1CC)NCCc1ccccn1
InChIInChI=1S/C19H33N5/c1-3-18-10-6-8-15-24(18)16-14-23-19(20-4-2)22-13-11-17-9-5-7-12-21-17/h5,7,9,12,18H,3-4,6,8,10-11,13-16H2,1-2H3,(H2,20,22,23)
InChIKeyDKNRJRDIJSMVMX-UHFFFAOYSA-N
MW331.51 g/mol
LogP2.44
Rot. Bonds8

About 1-ethyl-2-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(2-pyridin-2-ylethyl)guanidine

1-ethyl-2-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(2-pyridin-2-ylethyl)guanidine (PubChem CID 111567749) has the molecular formula C19H33N5 and a molecular weight of 331.51 g/mol. Its IUPAC name is 1-ethyl-2-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(2-pyridin-2-ylethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(2-pyridin-2-ylethyl)guanidine
PubChem CID111567749
Molecular FormulaC19H33N5
Molecular Weight331.51 g/mol
Exact Mass331.27
IUPAC Name1-ethyl-2-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(2-pyridin-2-ylethyl)guanidine
SMILESCCN/C(=N\CCN1CCCCC1CC)NCCc1ccccn1
InChIInChI=1S/C19H33N5/c1-3-18-10-6-8-15-24(18)16-14-23-19(20-4-2)22-13-11-17-9-5-7-12-21-17/h5,7,9,12,18H,3-4,6,8,10-11,13-16H2,1-2H3,(H2,20,22,23)
InChIKeyDKNRJRDIJSMVMX-UHFFFAOYSA-N
XLogP2.44
TPSA52.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.51
LogP ≤ 52.44
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-(2-ethylpiperidin-1-yl)ethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 111568714
1-ethyl-2,3-bis(2-pyridin-2-ylethyl)guanidine
CID 111191182
1-ethyl-2-(5-piperidin-1-ylpentyl)-3-(2-pyridin-2-ylethyl)guanidine
CID 111781964
2-(3-cyclopentylpropyl)-1-ethyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111192665
1-ethyl-2-[4-(4-methylpiperidin-1-yl)butyl]-3-(2-pyridin-2-ylethyl)guanidine
CID 111191718
1-ethyl-3-(2-pyridin-2-ylethyl)-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]guanidine
CID 111194092
1-ethyl-2-[2-(2-ethylpiperidin-1-yl)ethyl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]guanidine;hydroiodide
CID 111568274
1-ethyl-3-(2-pyridin-2-ylethyl)-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine
CID 111968493
1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-(2-pyridin-2-ylethyl)guanidine
CID 111192434
1,3-diethyl-2-(2-pyridin-2-ylethyl)guanidine
CID 86777068
1-ethyl-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-[(6-methoxy-2-pyridinyl)methyl]guanidine;hydroiodide
CID 111568464
1-ethyl-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111568744

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(2-pyridin-2-ylethyl)guanidine?
The IUPAC name of 1-ethyl-2-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(2-pyridin-2-ylethyl)guanidine (CID 111567749) is 1-ethyl-2-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(2-pyridin-2-ylethyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(2-pyridin-2-ylethyl)guanidine?
The canonical SMILES for 1-ethyl-2-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(2-pyridin-2-ylethyl)guanidine is CCN/C(=N\CCN1CCCCC1CC)NCCc1ccccn1.
What is the InChIKey of 1-ethyl-2-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(2-pyridin-2-ylethyl)guanidine?
The InChIKey is DKNRJRDIJSMVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5/c1-3-18-10-6-8-15-24(18)16-14-23-19(20-4-2)22-13-11-17-9-5-7-12-21-17/h5,7,9,12,18H,3-4,6,8,10-11,13-16H2,1-2H3,(H2,20,22,23).
What are the key properties of 1-ethyl-2-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(2-pyridin-2-ylethyl)guanidine?
1-ethyl-2-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(2-pyridin-2-ylethyl)guanidine has a molecular weight of 331.51 g/mol, XLogP of 2.44, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(2-pyridin-2-ylethyl)guanidine is sourced from PubChem (CID 111567749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).