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

C9H19N3O — CID 63173019

IUPACN'-(3-morpholin-4-ylpropyl)ethanimidamide
SMILESC/C(N)=N\CCCN1CCOCC1
InChIInChI=1S/C9H19N3O/c1-9(10)11-3-2-4-12-5-7-13-8-6-12/h2-8H2,1H3,(H2,10,11)
InChIKeyVPSFSYKIPWGYDD-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.09
Rot. Bonds4

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

N'-(3-morpholin-4-ylpropyl)ethanimidamide (PubChem CID 63173019) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is N'-(3-morpholin-4-ylpropyl)ethanimidamide.

Molecular Properties

Compound NameN'-(3-morpholin-4-ylpropyl)ethanimidamide
PubChem CID63173019
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC NameN'-(3-morpholin-4-ylpropyl)ethanimidamide
SMILESC/C(N)=N\CCCN1CCOCC1
InChIInChI=1S/C9H19N3O/c1-9(10)11-3-2-4-12-5-7-13-8-6-12/h2-8H2,1H3,(H2,10,11)
InChIKeyVPSFSYKIPWGYDD-UHFFFAOYSA-N
XLogP0.09
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.09
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)ethanimidamide?
The IUPAC name of N'-(3-morpholin-4-ylpropyl)ethanimidamide (CID 63173019) is N'-(3-morpholin-4-ylpropyl)ethanimidamide.
What is the SMILES notation for N'-(3-morpholin-4-ylpropyl)ethanimidamide?
The canonical SMILES for N'-(3-morpholin-4-ylpropyl)ethanimidamide is C/C(N)=N\CCCN1CCOCC1.
What is the InChIKey of N'-(3-morpholin-4-ylpropyl)ethanimidamide?
The InChIKey is VPSFSYKIPWGYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-9(10)11-3-2-4-12-5-7-13-8-6-12/h2-8H2,1H3,(H2,10,11).
What are the key properties of N'-(3-morpholin-4-ylpropyl)ethanimidamide?
N'-(3-morpholin-4-ylpropyl)ethanimidamide has a molecular weight of 185.27 g/mol, XLogP of 0.09, 4 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)ethanimidamide is sourced from PubChem (CID 63173019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).