N'-(3-morpholin-4-ylpropyl)butanimidamide

C11H23N3O — CID 63175513

IUPACN'-(3-morpholin-4-ylpropyl)butanimidamide
SMILESCCC/C(N)=N\CCCN1CCOCC1
InChIInChI=1S/C11H23N3O/c1-2-4-11(12)13-5-3-6-14-7-9-15-10-8-14/h2-10H2,1H3,(H2,12,13)
InChIKeyDCIDCARGJCIWLK-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.87
Rot. Bonds6

About N'-(3-morpholin-4-ylpropyl)butanimidamide

N'-(3-morpholin-4-ylpropyl)butanimidamide (PubChem CID 63175513) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is N'-(3-morpholin-4-ylpropyl)butanimidamide.

Molecular Properties

Compound NameN'-(3-morpholin-4-ylpropyl)butanimidamide
PubChem CID63175513
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC NameN'-(3-morpholin-4-ylpropyl)butanimidamide
SMILESCCC/C(N)=N\CCCN1CCOCC1
InChIInChI=1S/C11H23N3O/c1-2-4-11(12)13-5-3-6-14-7-9-15-10-8-14/h2-10H2,1H3,(H2,12,13)
InChIKeyDCIDCARGJCIWLK-UHFFFAOYSA-N
XLogP0.87
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.87
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-(3-morpholin-4-ylpropyl)butanimidamide?
The IUPAC name of N'-(3-morpholin-4-ylpropyl)butanimidamide (CID 63175513) is N'-(3-morpholin-4-ylpropyl)butanimidamide.
What is the SMILES notation for N'-(3-morpholin-4-ylpropyl)butanimidamide?
The canonical SMILES for N'-(3-morpholin-4-ylpropyl)butanimidamide is CCC/C(N)=N\CCCN1CCOCC1.
What is the InChIKey of N'-(3-morpholin-4-ylpropyl)butanimidamide?
The InChIKey is DCIDCARGJCIWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-2-4-11(12)13-5-3-6-14-7-9-15-10-8-14/h2-10H2,1H3,(H2,12,13).
What are the key properties of N'-(3-morpholin-4-ylpropyl)butanimidamide?
N'-(3-morpholin-4-ylpropyl)butanimidamide has a molecular weight of 213.32 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-morpholin-4-ylpropyl)butanimidamide is sourced from PubChem (CID 63175513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).