N'-(2-methylpropyl)morpholine-4-carboximidamide

C9H19N3O — CID 62360669

IUPACN'-(2-methylpropyl)morpholine-4-carboximidamide
SMILESCC(C)C/N=C(\N)N1CCOCC1
InChIInChI=1S/C9H19N3O/c1-8(2)7-11-9(10)12-3-5-13-6-4-12/h8H,3-7H2,1-2H3,(H2,10,11)
InChIKeyDFZQHWWSQAZFNG-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.29
Rot. Bonds2

About N'-(2-methylpropyl)morpholine-4-carboximidamide

N'-(2-methylpropyl)morpholine-4-carboximidamide (PubChem CID 62360669) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is N'-(2-methylpropyl)morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-(2-methylpropyl)morpholine-4-carboximidamide
PubChem CID62360669
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC NameN'-(2-methylpropyl)morpholine-4-carboximidamide
SMILESCC(C)C/N=C(\N)N1CCOCC1
InChIInChI=1S/C9H19N3O/c1-8(2)7-11-9(10)12-3-5-13-6-4-12/h8H,3-7H2,1-2H3,(H2,10,11)
InChIKeyDFZQHWWSQAZFNG-UHFFFAOYSA-N
XLogP0.29
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-(2-methylpropyl)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

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylpropyl)morpholine-4-carboximidamide?
The IUPAC name of N'-(2-methylpropyl)morpholine-4-carboximidamide (CID 62360669) is N'-(2-methylpropyl)morpholine-4-carboximidamide.
What is the SMILES notation for N'-(2-methylpropyl)morpholine-4-carboximidamide?
The canonical SMILES for N'-(2-methylpropyl)morpholine-4-carboximidamide is CC(C)C/N=C(\N)N1CCOCC1.
What is the InChIKey of N'-(2-methylpropyl)morpholine-4-carboximidamide?
The InChIKey is DFZQHWWSQAZFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-8(2)7-11-9(10)12-3-5-13-6-4-12/h8H,3-7H2,1-2H3,(H2,10,11).
What are the key properties of N'-(2-methylpropyl)morpholine-4-carboximidamide?
N'-(2-methylpropyl)morpholine-4-carboximidamide has a molecular weight of 185.27 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylpropyl)morpholine-4-carboximidamide is sourced from PubChem (CID 62360669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).