N'-(3-cyclopropylpropyl)morpholine-4-carboximidamide

C11H21N3O — CID 111816668

IUPACN'-(3-cyclopropylpropyl)morpholine-4-carboximidamide
SMILESN/C(=N\CCCC1CC1)N1CCOCC1
InChIInChI=1S/C11H21N3O/c12-11(14-6-8-15-9-7-14)13-5-1-2-10-3-4-10/h10H,1-9H2,(H2,12,13)
InChIKeyOVMZHLXIBHMEFV-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.82
Rot. Bonds4

About N'-(3-cyclopropylpropyl)morpholine-4-carboximidamide

N'-(3-cyclopropylpropyl)morpholine-4-carboximidamide (PubChem CID 111816668) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is N'-(3-cyclopropylpropyl)morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-(3-cyclopropylpropyl)morpholine-4-carboximidamide
PubChem CID111816668
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC NameN'-(3-cyclopropylpropyl)morpholine-4-carboximidamide
SMILESN/C(=N\CCCC1CC1)N1CCOCC1
InChIInChI=1S/C11H21N3O/c12-11(14-6-8-15-9-7-14)13-5-1-2-10-3-4-10/h10H,1-9H2,(H2,12,13)
InChIKeyOVMZHLXIBHMEFV-UHFFFAOYSA-N
XLogP0.82
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'-(3-cyclopropylpropyl)-4-methylpiperidine-1-carboximidamide
CID 111435851
N'-(4-cyclopentylbutyl)piperidine-1-carboximidamide
CID 111814768
N'-(4-pyrrolidin-1-ylbutyl)morpholine-4-carboximidamide;hydroiodide
CID 111059740
N'-[2-(oxan-2-yl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 110018757
cyclopentyl 4-[[amino(morpholin-4-yl)methylidene]amino]butanoate
CID 111810896
N'-[4-(2-methylpiperidin-1-yl)butyl]morpholine-4-carboximidamide
CID 111060059
N'-[2-[cyclohexyl(methyl)amino]ethyl]morpholine-4-carboximidamide
CID 111057268
N'-(2-cyclopentyloxyethyl)morpholine-4-carboximidamide
CID 99816286
N'-[4-(diethylamino)butyl]morpholine-4-carboximidamide
CID 111059955
N'-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 111072508
N'-(oxolan-3-ylmethyl)morpholine-4-carboximidamide;hydroiodide
CID 119118475
N'-(4-cyclopentylbutyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111814755

Frequently Asked Questions

What is the IUPAC name of N'-(3-cyclopropylpropyl)morpholine-4-carboximidamide?
The IUPAC name of N'-(3-cyclopropylpropyl)morpholine-4-carboximidamide (CID 111816668) is N'-(3-cyclopropylpropyl)morpholine-4-carboximidamide.
What is the SMILES notation for N'-(3-cyclopropylpropyl)morpholine-4-carboximidamide?
The canonical SMILES for N'-(3-cyclopropylpropyl)morpholine-4-carboximidamide is N/C(=N\CCCC1CC1)N1CCOCC1.
What is the InChIKey of N'-(3-cyclopropylpropyl)morpholine-4-carboximidamide?
The InChIKey is OVMZHLXIBHMEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c12-11(14-6-8-15-9-7-14)13-5-1-2-10-3-4-10/h10H,1-9H2,(H2,12,13).
What are the key properties of N'-(3-cyclopropylpropyl)morpholine-4-carboximidamide?
N'-(3-cyclopropylpropyl)morpholine-4-carboximidamide has a molecular weight of 211.31 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-cyclopropylpropyl)morpholine-4-carboximidamide is sourced from PubChem (CID 111816668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).