N'-[2-(4-methylpiperazin-1-yl)propyl]morpholine-4-carboximidamide

C13H27N5O — CID 111090365

IUPACN'-[2-(4-methylpiperazin-1-yl)propyl]morpholine-4-carboximidamide
SMILESCC(C/N=C(\N)N1CCOCC1)N1CCN(C)CC1
InChIInChI=1S/C13H27N5O/c1-12(17-5-3-16(2)4-6-17)11-15-13(14)18-7-9-19-10-8-18/h12H,3-11H2,1-2H3,(H2,14,15)
InChIKeyGVNLUGAIGDKHTP-UHFFFAOYSA-N
MW269.39 g/mol
LogP-0.73
Rot. Bonds3

About N'-[2-(4-methylpiperazin-1-yl)propyl]morpholine-4-carboximidamide

N'-[2-(4-methylpiperazin-1-yl)propyl]morpholine-4-carboximidamide (PubChem CID 111090365) has the molecular formula C13H27N5O and a molecular weight of 269.39 g/mol. Its IUPAC name is N'-[2-(4-methylpiperazin-1-yl)propyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[2-(4-methylpiperazin-1-yl)propyl]morpholine-4-carboximidamide
PubChem CID111090365
Molecular FormulaC13H27N5O
Molecular Weight269.39 g/mol
Exact Mass269.22
IUPAC NameN'-[2-(4-methylpiperazin-1-yl)propyl]morpholine-4-carboximidamide
SMILESCC(C/N=C(\N)N1CCOCC1)N1CCN(C)CC1
InChIInChI=1S/C13H27N5O/c1-12(17-5-3-16(2)4-6-17)11-15-13(14)18-7-9-19-10-8-18/h12H,3-11H2,1-2H3,(H2,14,15)
InChIKeyGVNLUGAIGDKHTP-UHFFFAOYSA-N
XLogP-0.73
TPSA57.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-[2-(4-methylpiperazin-1-yl)propyl]morpholine-4-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'-(2-morpholin-4-ylpropyl)morpholine-4-carboximidamide
CID 111055185
N'-[2-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide
CID 111090433
N'-[2-(4-methylpiperidin-1-yl)propyl]morpholine-4-carboximidamide;hydroiodide
CID 111086012
4-methyl-N'-(2-morpholin-4-ylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 110919840
1-amino-2-(2-morpholin-4-ylpropyl)guanidine
CID 23126903
N'-[2-(4-methylpiperazin-1-yl)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111090444
N'-[2-(2,3-dihydroindol-1-yl)propyl]morpholine-4-carboximidamide
CID 111067772
4-methyl-N'-[2-(4-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 110920423
N'-(2-methoxy-3,3-dimethylbutyl)morpholine-4-carboximidamide
CID 111757981
1-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 111055251
N-ethyl-N'-[2-(4-methylpiperazin-1-yl)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111728063
N-ethyl-N'-[2-(4-methylpiperazin-1-yl)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111728062

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methylpiperazin-1-yl)propyl]morpholine-4-carboximidamide?
The IUPAC name of N'-[2-(4-methylpiperazin-1-yl)propyl]morpholine-4-carboximidamide (CID 111090365) is N'-[2-(4-methylpiperazin-1-yl)propyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[2-(4-methylpiperazin-1-yl)propyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[2-(4-methylpiperazin-1-yl)propyl]morpholine-4-carboximidamide is CC(C/N=C(\N)N1CCOCC1)N1CCN(C)CC1.
What is the InChIKey of N'-[2-(4-methylpiperazin-1-yl)propyl]morpholine-4-carboximidamide?
The InChIKey is GVNLUGAIGDKHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N5O/c1-12(17-5-3-16(2)4-6-17)11-15-13(14)18-7-9-19-10-8-18/h12H,3-11H2,1-2H3,(H2,14,15).
What are the key properties of N'-[2-(4-methylpiperazin-1-yl)propyl]morpholine-4-carboximidamide?
N'-[2-(4-methylpiperazin-1-yl)propyl]morpholine-4-carboximidamide has a molecular weight of 269.39 g/mol, XLogP of -0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methylpiperazin-1-yl)propyl]morpholine-4-carboximidamide is sourced from PubChem (CID 111090365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).