N-butyl-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide

C14H28N4O — CID 111726567

IUPACN-butyl-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
SMILESCCCCN/C(=N\C)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C14H28N4O/c1-3-4-6-16-14(15-2)18-7-5-13(12-18)17-8-10-19-11-9-17/h13H,3-12H2,1-2H3,(H,15,16)
InChIKeyVJQZKRPUYIXPDK-UHFFFAOYSA-N
MW268.40 g/mol
LogP0.77
Rot. Bonds4

About N-butyl-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide

N-butyl-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide (PubChem CID 111726567) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is N-butyl-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-butyl-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
PubChem CID111726567
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC NameN-butyl-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
SMILESCCCCN/C(=N\C)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C14H28N4O/c1-3-4-6-16-14(15-2)18-7-5-13(12-18)17-8-10-19-11-9-17/h13H,3-12H2,1-2H3,(H,15,16)
InChIKeyVJQZKRPUYIXPDK-UHFFFAOYSA-N
XLogP0.77
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 50.77
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'}

Analyze N-butyl-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-methyl-N-(4-methylpentyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111726361
N-(3-methoxypropyl)-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111726310
ethyl 4-[[N-methyl-C-(3-morpholin-4-ylpyrrolidin-1-yl)carbonimidoyl]amino]butanoate
CID 111727507
N'-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111725748
N'-methyl-N-[3-(2-methylpropoxy)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111726204
N'-methyl-3-morpholin-4-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111726744
2,2-dimethyl-N-[2-[[N-methyl-C-(3-morpholin-4-ylpyrrolidin-1-yl)carbonimidoyl]amino]ethyl]propanamide;hydroiodide
CID 111726284
N'-methyl-N-[4-(3-methylpiperidin-1-yl)butyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111727912
N'-methyl-3-morpholin-4-yl-N-(3-phenoxypropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111726296
N,N-dimethyl-3-[[N-methyl-C-(3-morpholin-4-ylpyrrolidin-1-yl)carbonimidoyl]amino]propanamide;hydroiodide
CID 111725756
N-[2-[cyclohexyl(methyl)amino]ethyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 119142642
N-(cyclooctylmethyl)-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111728150

Frequently Asked Questions

What is the IUPAC name of N-butyl-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide?
The IUPAC name of N-butyl-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide (CID 111726567) is N-butyl-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-butyl-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-butyl-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide is CCCCN/C(=N\C)N1CCC(N2CCOCC2)C1.
What is the InChIKey of N-butyl-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide?
The InChIKey is VJQZKRPUYIXPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-3-4-6-16-14(15-2)18-7-5-13(12-18)17-8-10-19-11-9-17/h13H,3-12H2,1-2H3,(H,15,16).
What are the key properties of N-butyl-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide?
N-butyl-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide has a molecular weight of 268.40 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 111726567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).