N'-(3-morpholin-4-ylpropyl)cyclopentanecarboximidamide

C13H25N3O — CID 63175576

IUPACN'-(3-morpholin-4-ylpropyl)cyclopentanecarboximidamide
SMILESN/C(=N\CCCN1CCOCC1)C1CCCC1
InChIInChI=1S/C13H25N3O/c14-13(12-4-1-2-5-12)15-6-3-7-16-8-10-17-11-9-16/h12H,1-11H2,(H2,14,15)
InChIKeyDQMXHYFHFODACB-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.26
Rot. Bonds5

About N'-(3-morpholin-4-ylpropyl)cyclopentanecarboximidamide

N'-(3-morpholin-4-ylpropyl)cyclopentanecarboximidamide (PubChem CID 63175576) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N'-(3-morpholin-4-ylpropyl)cyclopentanecarboximidamide.

Molecular Properties

Compound NameN'-(3-morpholin-4-ylpropyl)cyclopentanecarboximidamide
PubChem CID63175576
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN'-(3-morpholin-4-ylpropyl)cyclopentanecarboximidamide
SMILESN/C(=N\CCCN1CCOCC1)C1CCCC1
InChIInChI=1S/C13H25N3O/c14-13(12-4-1-2-5-12)15-6-3-7-16-8-10-17-11-9-16/h12H,1-11H2,(H2,14,15)
InChIKeyDQMXHYFHFODACB-UHFFFAOYSA-N
XLogP1.26
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N'-(2-piperidin-1-ylethyl)cyclohexanecarboximidamide
CID 63176513
N'-(3-morpholin-4-ylpropyl)propanimidamide
CID 63175512
2-chloro-N'-(3-morpholin-4-ylpropyl)ethanimidamide;hydrochloride
CID 54610602
1-(3-cyclopentylpropyl)-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111062761
1-cyclohexyl-2-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 111059840
1-[2-(azepan-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111057007
2-(3-morpholin-4-ylpropyl)-1-[2-(oxan-2-yl)ethyl]guanidine
CID 110018736
1-[2-(4-methylpiperidin-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111056682
1-[2-(3-methylpiperidin-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 111056854
N'-hydroxy-1-(2-morpholin-4-ylethyl)piperidine-2-carboximidamide
CID 77036137
N'-(4-pyrrolidin-1-ylbutyl)morpholine-4-carboximidamide;hydroiodide
CID 111059740
2-[3-(3-methylpiperidin-1-yl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111056935

Frequently Asked Questions

What is the IUPAC name of N'-(3-morpholin-4-ylpropyl)cyclopentanecarboximidamide?
The IUPAC name of N'-(3-morpholin-4-ylpropyl)cyclopentanecarboximidamide (CID 63175576) is N'-(3-morpholin-4-ylpropyl)cyclopentanecarboximidamide.
What is the SMILES notation for N'-(3-morpholin-4-ylpropyl)cyclopentanecarboximidamide?
The canonical SMILES for N'-(3-morpholin-4-ylpropyl)cyclopentanecarboximidamide is N/C(=N\CCCN1CCOCC1)C1CCCC1.
What is the InChIKey of N'-(3-morpholin-4-ylpropyl)cyclopentanecarboximidamide?
The InChIKey is DQMXHYFHFODACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c14-13(12-4-1-2-5-12)15-6-3-7-16-8-10-17-11-9-16/h12H,1-11H2,(H2,14,15).
What are the key properties of N'-(3-morpholin-4-ylpropyl)cyclopentanecarboximidamide?
N'-(3-morpholin-4-ylpropyl)cyclopentanecarboximidamide has a molecular weight of 239.36 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-morpholin-4-ylpropyl)cyclopentanecarboximidamide is sourced from PubChem (CID 63175576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).