2-methyl-1-(2-methyl-3-morpholin-4-ylpropyl)-3-(2-pyridin-2-ylethyl)guanidine

C17H29N5O — CID 111835831

IUPAC2-methyl-1-(2-methyl-3-morpholin-4-ylpropyl)-3-(2-pyridin-2-ylethyl)guanidine
SMILESC/N=C(\NCCc1ccccn1)NCC(C)CN1CCOCC1
InChIInChI=1S/C17H29N5O/c1-15(14-22-9-11-23-12-10-22)13-21-17(18-2)20-8-6-16-5-3-4-7-19-16/h3-5,7,15H,6,8-14H2,1-2H3,(H2,18,20,21)
InChIKeyNRYZDSKEVMJBEU-UHFFFAOYSA-N
MW319.45 g/mol
LogP0.76
Rot. Bonds7

About 2-methyl-1-(2-methyl-3-morpholin-4-ylpropyl)-3-(2-pyridin-2-ylethyl)guanidine

2-methyl-1-(2-methyl-3-morpholin-4-ylpropyl)-3-(2-pyridin-2-ylethyl)guanidine (PubChem CID 111835831) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-methyl-1-(2-methyl-3-morpholin-4-ylpropyl)-3-(2-pyridin-2-ylethyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-(2-methyl-3-morpholin-4-ylpropyl)-3-(2-pyridin-2-ylethyl)guanidine
PubChem CID111835831
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC Name2-methyl-1-(2-methyl-3-morpholin-4-ylpropyl)-3-(2-pyridin-2-ylethyl)guanidine
SMILESC/N=C(\NCCc1ccccn1)NCC(C)CN1CCOCC1
InChIInChI=1S/C17H29N5O/c1-15(14-22-9-11-23-12-10-22)13-21-17(18-2)20-8-6-16-5-3-4-7-19-16/h3-5,7,15H,6,8-14H2,1-2H3,(H2,18,20,21)
InChIKeyNRYZDSKEVMJBEU-UHFFFAOYSA-N
XLogP0.76
TPSA61.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111192554
1-[2-(2-fluorophenyl)ethyl]-2-methyl-3-(2-methyl-3-morpholin-4-ylpropyl)guanidine
CID 111839039
2-methyl-1-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(2-pyridin-2-ylethyl)guanidine
CID 111193018
2-methyl-1-(2-methyl-3-morpholin-4-ylpropyl)-3-(3-phenoxypropyl)guanidine;hydroiodide
CID 111840550
2-methyl-1-[2-(3-methylmorpholin-4-yl)propyl]-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111835834
2-methyl-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111193635
2-methyl-1-(2-methyl-3-morpholin-4-ylpropyl)-3-(2-methylpropyl)guanidine
CID 111835613
1-[2-(azepan-1-yl)-3-methylbutyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111194275
1-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111193780
1-[2-(cyclohexen-1-yl)ethyl]-2-methyl-3-(2-methyl-3-morpholin-4-ylpropyl)guanidine
CID 111836159
2-methyl-1-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111375481
1-(3-hydroxy-2-phenylpropyl)-2-methyl-3-(2-methyl-3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 109410792

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methyl-3-morpholin-4-ylpropyl)-3-(2-pyridin-2-ylethyl)guanidine?
The IUPAC name of 2-methyl-1-(2-methyl-3-morpholin-4-ylpropyl)-3-(2-pyridin-2-ylethyl)guanidine (CID 111835831) is 2-methyl-1-(2-methyl-3-morpholin-4-ylpropyl)-3-(2-pyridin-2-ylethyl)guanidine.
What is the SMILES notation for 2-methyl-1-(2-methyl-3-morpholin-4-ylpropyl)-3-(2-pyridin-2-ylethyl)guanidine?
The canonical SMILES for 2-methyl-1-(2-methyl-3-morpholin-4-ylpropyl)-3-(2-pyridin-2-ylethyl)guanidine is C/N=C(\NCCc1ccccn1)NCC(C)CN1CCOCC1.
What is the InChIKey of 2-methyl-1-(2-methyl-3-morpholin-4-ylpropyl)-3-(2-pyridin-2-ylethyl)guanidine?
The InChIKey is NRYZDSKEVMJBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O/c1-15(14-22-9-11-23-12-10-22)13-21-17(18-2)20-8-6-16-5-3-4-7-19-16/h3-5,7,15H,6,8-14H2,1-2H3,(H2,18,20,21).
What are the key properties of 2-methyl-1-(2-methyl-3-morpholin-4-ylpropyl)-3-(2-pyridin-2-ylethyl)guanidine?
2-methyl-1-(2-methyl-3-morpholin-4-ylpropyl)-3-(2-pyridin-2-ylethyl)guanidine has a molecular weight of 319.45 g/mol, XLogP of 0.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methyl-3-morpholin-4-ylpropyl)-3-(2-pyridin-2-ylethyl)guanidine is sourced from PubChem (CID 111835831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).