N'-(3-methyl-2-pyridin-3-ylbutyl)morpholine-4-carboximidamide

C15H24N4O — CID 111911290

IUPACN'-(3-methyl-2-pyridin-3-ylbutyl)morpholine-4-carboximidamide
SMILESCC(C)C(C/N=C(\N)N1CCOCC1)c1cccnc1
InChIInChI=1S/C15H24N4O/c1-12(2)14(13-4-3-5-17-10-13)11-18-15(16)19-6-8-20-9-7-19/h3-5,10,12,14H,6-9,11H2,1-2H3,(H2,16,18)
InChIKeyVLYMKDQNIMUHNZ-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.47
Rot. Bonds4

About N'-(3-methyl-2-pyridin-3-ylbutyl)morpholine-4-carboximidamide

N'-(3-methyl-2-pyridin-3-ylbutyl)morpholine-4-carboximidamide (PubChem CID 111911290) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N'-(3-methyl-2-pyridin-3-ylbutyl)morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-(3-methyl-2-pyridin-3-ylbutyl)morpholine-4-carboximidamide
PubChem CID111911290
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN'-(3-methyl-2-pyridin-3-ylbutyl)morpholine-4-carboximidamide
SMILESCC(C)C(C/N=C(\N)N1CCOCC1)c1cccnc1
InChIInChI=1S/C15H24N4O/c1-12(2)14(13-4-3-5-17-10-13)11-18-15(16)19-6-8-20-9-7-19/h3-5,10,12,14H,6-9,11H2,1-2H3,(H2,16,18)
InChIKeyVLYMKDQNIMUHNZ-UHFFFAOYSA-N
XLogP1.47
TPSA63.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N'-(3-methyl-2-pyridin-3-ylbutyl)piperidine-1-carboximidamide;hydroiodide
CID 111911277
1,1-diethyl-2-(3-methyl-2-pyridin-3-ylbutyl)guanidine;hydroiodide
CID 111911239
N'-(2-phenoxypropyl)morpholine-4-carboximidamide
CID 111801506
N-(1-pyridin-3-ylethyl)morpholine-4-carboxamide
CID 115576612
N'-(2,3-diphenylpropyl)morpholine-4-carboximidamide
CID 111799880
N'-(2,3-diphenylpropyl)morpholine-4-carboximidamide;hydroiodide
CID 111799879
1-(3,5-dimethylphenyl)-2-(3-methyl-2-pyridin-3-ylbutyl)guanidine
CID 111911286
N'-(2-morpholin-4-ylpropyl)morpholine-4-carboximidamide
CID 111055185
N'-[2-hydroxy-2-(4-methylphenyl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 111067391
N-[2-[[amino(morpholin-4-yl)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide
CID 111055570
N'-[(3-methyl-2-pyridinyl)methyl]morpholine-4-carboximidamide
CID 111802374
N'-[2-(3-fluorophenoxy)propyl]morpholine-4-carboximidamide
CID 111820472

Frequently Asked Questions

What is the IUPAC name of N'-(3-methyl-2-pyridin-3-ylbutyl)morpholine-4-carboximidamide?
The IUPAC name of N'-(3-methyl-2-pyridin-3-ylbutyl)morpholine-4-carboximidamide (CID 111911290) is N'-(3-methyl-2-pyridin-3-ylbutyl)morpholine-4-carboximidamide.
What is the SMILES notation for N'-(3-methyl-2-pyridin-3-ylbutyl)morpholine-4-carboximidamide?
The canonical SMILES for N'-(3-methyl-2-pyridin-3-ylbutyl)morpholine-4-carboximidamide is CC(C)C(C/N=C(\N)N1CCOCC1)c1cccnc1.
What is the InChIKey of N'-(3-methyl-2-pyridin-3-ylbutyl)morpholine-4-carboximidamide?
The InChIKey is VLYMKDQNIMUHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-12(2)14(13-4-3-5-17-10-13)11-18-15(16)19-6-8-20-9-7-19/h3-5,10,12,14H,6-9,11H2,1-2H3,(H2,16,18).
What are the key properties of N'-(3-methyl-2-pyridin-3-ylbutyl)morpholine-4-carboximidamide?
N'-(3-methyl-2-pyridin-3-ylbutyl)morpholine-4-carboximidamide has a molecular weight of 276.38 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methyl-2-pyridin-3-ylbutyl)morpholine-4-carboximidamide is sourced from PubChem (CID 111911290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).