2-(4-morpholin-4-ylbutyl)-1-(2-pyridin-2-ylethyl)guanidine

C16H27N5O — CID 111059887

IUPAC2-(4-morpholin-4-ylbutyl)-1-(2-pyridin-2-ylethyl)guanidine
SMILESN/C(=N\CCCCN1CCOCC1)NCCc1ccccn1
InChIInChI=1S/C16H27N5O/c17-16(20-9-6-15-5-1-2-7-18-15)19-8-3-4-10-21-11-13-22-14-12-21/h1-2,5,7H,3-4,6,8-14H2,(H3,17,19,20)
InChIKeyRFNFLUAMXAAMMT-UHFFFAOYSA-N
MW305.43 g/mol
LogP0.64
Rot. Bonds8

About 2-(4-morpholin-4-ylbutyl)-1-(2-pyridin-2-ylethyl)guanidine

2-(4-morpholin-4-ylbutyl)-1-(2-pyridin-2-ylethyl)guanidine (PubChem CID 111059887) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is 2-(4-morpholin-4-ylbutyl)-1-(2-pyridin-2-ylethyl)guanidine.

Molecular Properties

Compound Name2-(4-morpholin-4-ylbutyl)-1-(2-pyridin-2-ylethyl)guanidine
PubChem CID111059887
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC Name2-(4-morpholin-4-ylbutyl)-1-(2-pyridin-2-ylethyl)guanidine
SMILESN/C(=N\CCCCN1CCOCC1)NCCc1ccccn1
InChIInChI=1S/C16H27N5O/c17-16(20-9-6-15-5-1-2-7-18-15)19-8-3-4-10-21-11-13-22-14-12-21/h1-2,5,7H,3-4,6,8-14H2,(H3,17,19,20)
InChIKeyRFNFLUAMXAAMMT-UHFFFAOYSA-N
XLogP0.64
TPSA75.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-phenylpiperazin-1-yl)butyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111061951
1-(2-pyridin-2-ylethyl)-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111043415
1-(2-pyridin-2-ylethyl)-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]guanidine;hydroiodide
CID 111062124
2-[3-(2,6-dimethylmorpholin-4-yl)propyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111040718
2-[4-(1,3-dioxoisoindol-2-yl)butyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111810662
2-hexyl-1-(2-pyridin-2-ylethyl)guanidine
CID 111023818
2-[3-(3-methylpiperidin-1-yl)propyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111056945
3-morpholin-4-yl-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 60649527
2-octyl-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111024681
2-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111023101
2-(3-morpholin-4-ylpropyl)-1-(2-naphthalen-2-ylethyl)guanidine
CID 111069794
2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111567241

Frequently Asked Questions

What is the IUPAC name of 2-(4-morpholin-4-ylbutyl)-1-(2-pyridin-2-ylethyl)guanidine?
The IUPAC name of 2-(4-morpholin-4-ylbutyl)-1-(2-pyridin-2-ylethyl)guanidine (CID 111059887) is 2-(4-morpholin-4-ylbutyl)-1-(2-pyridin-2-ylethyl)guanidine.
What is the SMILES notation for 2-(4-morpholin-4-ylbutyl)-1-(2-pyridin-2-ylethyl)guanidine?
The canonical SMILES for 2-(4-morpholin-4-ylbutyl)-1-(2-pyridin-2-ylethyl)guanidine is N/C(=N\CCCCN1CCOCC1)NCCc1ccccn1.
What is the InChIKey of 2-(4-morpholin-4-ylbutyl)-1-(2-pyridin-2-ylethyl)guanidine?
The InChIKey is RFNFLUAMXAAMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O/c17-16(20-9-6-15-5-1-2-7-18-15)19-8-3-4-10-21-11-13-22-14-12-21/h1-2,5,7H,3-4,6,8-14H2,(H3,17,19,20).
What are the key properties of 2-(4-morpholin-4-ylbutyl)-1-(2-pyridin-2-ylethyl)guanidine?
2-(4-morpholin-4-ylbutyl)-1-(2-pyridin-2-ylethyl)guanidine has a molecular weight of 305.43 g/mol, XLogP of 0.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-morpholin-4-ylbutyl)-1-(2-pyridin-2-ylethyl)guanidine is sourced from PubChem (CID 111059887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).