N'-(4-pyrrolidin-1-ylbutyl)morpholine-4-carboximidamide;hydroiodide

C13H27IN4O — CID 111059740

IUPACN'-(4-pyrrolidin-1-ylbutyl)morpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCCCN1CCCC1)N1CCOCC1
InChIInChI=1S/C13H26N4O.HI/c14-13(17-9-11-18-12-10-17)15-5-1-2-6-16-7-3-4-8-16;/h1-12H2,(H2,14,15);1H
InChIKeyDVXPEVUKUZKUCC-UHFFFAOYSA-N
MW382.29 g/mol
LogP1.13
Rot. Bonds5

About N'-(4-pyrrolidin-1-ylbutyl)morpholine-4-carboximidamide;hydroiodide

N'-(4-pyrrolidin-1-ylbutyl)morpholine-4-carboximidamide;hydroiodide (PubChem CID 111059740) has the molecular formula C13H27IN4O and a molecular weight of 382.29 g/mol. Its IUPAC name is N'-(4-pyrrolidin-1-ylbutyl)morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-(4-pyrrolidin-1-ylbutyl)morpholine-4-carboximidamide;hydroiodide
PubChem CID111059740
Molecular FormulaC13H27IN4O
Molecular Weight382.29 g/mol
Exact Mass382.12
IUPAC NameN'-(4-pyrrolidin-1-ylbutyl)morpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCCCN1CCCC1)N1CCOCC1
InChIInChI=1S/C13H26N4O.HI/c14-13(17-9-11-18-12-10-17)15-5-1-2-6-16-7-3-4-8-16;/h1-12H2,(H2,14,15);1H
InChIKeyDVXPEVUKUZKUCC-UHFFFAOYSA-N
XLogP1.13
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.29
LogP ≤ 51.13
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N'-[4-(4-ethylpiperazin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide
CID 111060330
N'-(3-pyrrolidin-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111034812
N'-(3-pyrrolidin-1-ylpropyl)azepane-1-carboximidamide
CID 86779268
N'-(5-piperidin-1-ylpentyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111809661
4-methyl-N'-(4-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide
CID 110920130
N'-[4-(2-methylpiperidin-1-yl)butyl]morpholine-4-carboximidamide
CID 111060059
N'-[4-(4-benzylpiperidin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide
CID 111807931
N'-[6-[[amino(piperidin-1-yl)methylidene]amino]hexyl]piperidine-1-carboximidamide;hydroiodide
CID 110062182
methyl 7-[[amino(morpholin-4-yl)methylidene]amino]heptanoate;hydroiodide
CID 111040526
4-(4-fluorophenyl)-N'-(4-pyrrolidin-1-ylbutyl)piperazine-1-carboximidamide
CID 111059813
N'-(2-morpholin-4-ylethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111024484
N'-[6-[[amino(azepan-1-yl)methylidene]amino]hexyl]azepane-1-carboximidamide
CID 110062207

Frequently Asked Questions

What is the IUPAC name of N'-(4-pyrrolidin-1-ylbutyl)morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-(4-pyrrolidin-1-ylbutyl)morpholine-4-carboximidamide;hydroiodide (CID 111059740) is N'-(4-pyrrolidin-1-ylbutyl)morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-(4-pyrrolidin-1-ylbutyl)morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-(4-pyrrolidin-1-ylbutyl)morpholine-4-carboximidamide;hydroiodide is I.N/C(=N\CCCCN1CCCC1)N1CCOCC1.
What is the InChIKey of N'-(4-pyrrolidin-1-ylbutyl)morpholine-4-carboximidamide;hydroiodide?
The InChIKey is DVXPEVUKUZKUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O.HI/c14-13(17-9-11-18-12-10-17)15-5-1-2-6-16-7-3-4-8-16;/h1-12H2,(H2,14,15);1H.
What are the key properties of N'-(4-pyrrolidin-1-ylbutyl)morpholine-4-carboximidamide;hydroiodide?
N'-(4-pyrrolidin-1-ylbutyl)morpholine-4-carboximidamide;hydroiodide has a molecular weight of 382.29 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-pyrrolidin-1-ylbutyl)morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 111059740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).