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

C18H37N5O — CID 111042263

IUPAC2-(4-methyl-2-pyrrolidin-1-ylpentyl)-1-(3-morpholin-4-ylpropyl)guanidine
SMILESCC(C)CC(C/N=C(\N)NCCCN1CCOCC1)N1CCCC1
InChIInChI=1S/C18H37N5O/c1-16(2)14-17(23-8-3-4-9-23)15-21-18(19)20-6-5-7-22-10-12-24-13-11-22/h16-17H,3-15H2,1-2H3,(H3,19,20,21)
InChIKeyNUBXLXHQTWBKOU-UHFFFAOYSA-N
MW339.53 g/mol
LogP1.12
Rot. Bonds9

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

2-(4-methyl-2-pyrrolidin-1-ylpentyl)-1-(3-morpholin-4-ylpropyl)guanidine (PubChem CID 111042263) has the molecular formula C18H37N5O and a molecular weight of 339.53 g/mol. Its IUPAC name is 2-(4-methyl-2-pyrrolidin-1-ylpentyl)-1-(3-morpholin-4-ylpropyl)guanidine.

Molecular Properties

Compound Name2-(4-methyl-2-pyrrolidin-1-ylpentyl)-1-(3-morpholin-4-ylpropyl)guanidine
PubChem CID111042263
Molecular FormulaC18H37N5O
Molecular Weight339.53 g/mol
Exact Mass339.30
IUPAC Name2-(4-methyl-2-pyrrolidin-1-ylpentyl)-1-(3-morpholin-4-ylpropyl)guanidine
SMILESCC(C)CC(C/N=C(\N)NCCCN1CCOCC1)N1CCCC1
InChIInChI=1S/C18H37N5O/c1-16(2)14-17(23-8-3-4-9-23)15-21-18(19)20-6-5-7-22-10-12-24-13-11-22/h16-17H,3-15H2,1-2H3,(H3,19,20,21)
InChIKeyNUBXLXHQTWBKOU-UHFFFAOYSA-N
XLogP1.12
TPSA66.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.53
LogP ≤ 51.12
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

1-hexyl-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine;hydroiodide
CID 111041494
2-(3-ethyl-2-pyrrolidin-1-ylpentyl)-1-(3-morpholin-4-ylpropyl)guanidine
CID 111042205
1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine
CID 111041553
2-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111085971
2-[2-(4-ethylpiperazin-1-yl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111056058
2-(3-ethyl-2-morpholin-4-ylpentyl)-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111041688
1-(4-methylpentyl)-2-(3-morpholin-4-ylpropyl)guanidine
CID 111054905
2-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111055046
1-(3-morpholin-4-ylpropyl)-2-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)guanidine
CID 111029856
1-(3-morpholin-4-ylpropyl)-2-(2,2,4-trimethylpentyl)guanidine;hydroiodide
CID 111911375
2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111027452
1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111188064

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-pyrrolidin-1-ylpentyl)-1-(3-morpholin-4-ylpropyl)guanidine?
The IUPAC name of 2-(4-methyl-2-pyrrolidin-1-ylpentyl)-1-(3-morpholin-4-ylpropyl)guanidine (CID 111042263) is 2-(4-methyl-2-pyrrolidin-1-ylpentyl)-1-(3-morpholin-4-ylpropyl)guanidine.
What is the SMILES notation for 2-(4-methyl-2-pyrrolidin-1-ylpentyl)-1-(3-morpholin-4-ylpropyl)guanidine?
The canonical SMILES for 2-(4-methyl-2-pyrrolidin-1-ylpentyl)-1-(3-morpholin-4-ylpropyl)guanidine is CC(C)CC(C/N=C(\N)NCCCN1CCOCC1)N1CCCC1.
What is the InChIKey of 2-(4-methyl-2-pyrrolidin-1-ylpentyl)-1-(3-morpholin-4-ylpropyl)guanidine?
The InChIKey is NUBXLXHQTWBKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N5O/c1-16(2)14-17(23-8-3-4-9-23)15-21-18(19)20-6-5-7-22-10-12-24-13-11-22/h16-17H,3-15H2,1-2H3,(H3,19,20,21).
What are the key properties of 2-(4-methyl-2-pyrrolidin-1-ylpentyl)-1-(3-morpholin-4-ylpropyl)guanidine?
2-(4-methyl-2-pyrrolidin-1-ylpentyl)-1-(3-morpholin-4-ylpropyl)guanidine has a molecular weight of 339.53 g/mol, XLogP of 1.12, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-pyrrolidin-1-ylpentyl)-1-(3-morpholin-4-ylpropyl)guanidine is sourced from PubChem (CID 111042263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).