2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-(2-morpholin-4-ylethyl)guanidine

C18H37N5O — CID 111042287

IUPAC2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-(2-morpholin-4-ylethyl)guanidine
SMILESC/N=C(/NCCN1CCOCC1)NCC(CC(C)C)N1CCCC1
InChIInChI=1S/C18H37N5O/c1-16(2)14-17(23-7-4-5-8-23)15-21-18(19-3)20-6-9-22-10-12-24-13-11-22/h16-17H,4-15H2,1-3H3,(H2,19,20,21)
InChIKeyLYMGSLYWRYBRIF-UHFFFAOYSA-N
MW339.53 g/mol
LogP0.99
Rot. Bonds8

About 2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-(2-morpholin-4-ylethyl)guanidine

2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-(2-morpholin-4-ylethyl)guanidine (PubChem CID 111042287) has the molecular formula C18H37N5O and a molecular weight of 339.53 g/mol. Its IUPAC name is 2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-(2-morpholin-4-ylethyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-(2-morpholin-4-ylethyl)guanidine
PubChem CID111042287
Molecular FormulaC18H37N5O
Molecular Weight339.53 g/mol
Exact Mass339.30
IUPAC Name2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-(2-morpholin-4-ylethyl)guanidine
SMILESC/N=C(/NCCN1CCOCC1)NCC(CC(C)C)N1CCCC1
InChIInChI=1S/C18H37N5O/c1-16(2)14-17(23-7-4-5-8-23)15-21-18(19-3)20-6-9-22-10-12-24-13-11-22/h16-17H,4-15H2,1-3H3,(H2,19,20,21)
InChIKeyLYMGSLYWRYBRIF-UHFFFAOYSA-N
XLogP0.99
TPSA52.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.53
LogP ≤ 50.99
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

2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111042286
1-[2-(azepan-1-yl)ethyl]-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine;hydroiodide
CID 111936106
2-methyl-1-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-methylsulfanylethyl)guanidine
CID 111345121
2-methyl-N-[2-[[N'-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)carbamimidoyl]amino]ethyl]propanamide
CID 111928490
1-butyl-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine
CID 111150541
2-methyl-1-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-pyrazol-1-ylethyl)guanidine;hydroiodide
CID 111935610
2-methyl-1-(4-methyl-2-morpholin-4-ylpentyl)-3-(3-propan-2-yloxypropyl)guanidine
CID 111246771
2,2-dimethyl-N-[2-[[N'-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)carbamimidoyl]amino]ethyl]propanamide;hydroiodide
CID 111936040
1-(5-methoxypentyl)-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine
CID 111935379
2-methyl-1-(2-methylpropyl)-3-(4-morpholin-4-ylbutyl)guanidine
CID 111178514
1-(2-ethoxyethyl)-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine
CID 111895019
2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-propan-2-ylguanidine;hydroiodide
CID 111125178

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-(2-morpholin-4-ylethyl)guanidine?
The IUPAC name of 2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-(2-morpholin-4-ylethyl)guanidine (CID 111042287) is 2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-(2-morpholin-4-ylethyl)guanidine.
What is the SMILES notation for 2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-(2-morpholin-4-ylethyl)guanidine?
The canonical SMILES for 2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-(2-morpholin-4-ylethyl)guanidine is C/N=C(/NCCN1CCOCC1)NCC(CC(C)C)N1CCCC1.
What is the InChIKey of 2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-(2-morpholin-4-ylethyl)guanidine?
The InChIKey is LYMGSLYWRYBRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N5O/c1-16(2)14-17(23-7-4-5-8-23)15-21-18(19-3)20-6-9-22-10-12-24-13-11-22/h16-17H,4-15H2,1-3H3,(H2,19,20,21).
What are the key properties of 2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-(2-morpholin-4-ylethyl)guanidine?
2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-(2-morpholin-4-ylethyl)guanidine has a molecular weight of 339.53 g/mol, XLogP of 0.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-(2-morpholin-4-ylethyl)guanidine is sourced from PubChem (CID 111042287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).