N,N'-di(cyclooctyl)morpholine-4-carboximidamide

C21H39N3O — CID 10405561

IUPACN,N'-di(cyclooctyl)morpholine-4-carboximidamide
SMILESC1CCCC(/N=C(/NC2CCCCCCC2)N2CCOCC2)CCC1
InChIInChI=1S/C21H39N3O/c1-3-7-11-19(12-8-4-1)22-21(24-15-17-25-18-16-24)23-20-13-9-5-2-6-10-14-20/h19-20H,1-18H2,(H,22,23)
InChIKeyBFJMYEIOGWSIIO-UHFFFAOYSA-N
MW349.56 g/mol
LogP4.49
Rot. Bonds2

About N,N'-di(cyclooctyl)morpholine-4-carboximidamide

N,N'-di(cyclooctyl)morpholine-4-carboximidamide (PubChem CID 10405561) has the molecular formula C21H39N3O and a molecular weight of 349.56 g/mol. Its IUPAC name is N,N'-di(cyclooctyl)morpholine-4-carboximidamide.

Molecular Properties

Compound NameN,N'-di(cyclooctyl)morpholine-4-carboximidamide
PubChem CID10405561
Molecular FormulaC21H39N3O
Molecular Weight349.56 g/mol
Exact Mass349.31
IUPAC NameN,N'-di(cyclooctyl)morpholine-4-carboximidamide
SMILESC1CCCC(/N=C(/NC2CCCCCCC2)N2CCOCC2)CCC1
InChIInChI=1S/C21H39N3O/c1-3-7-11-19(12-8-4-1)22-21(24-15-17-25-18-16-24)23-20-13-9-5-2-6-10-14-20/h19-20H,1-18H2,(H,22,23)
InChIKeyBFJMYEIOGWSIIO-UHFFFAOYSA-N
XLogP4.49
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.56
LogP ≤ 54.49
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,N'-di(cyclooctyl)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,N'-di(cyclooctyl)morpholine-4-carboximidamide?
The IUPAC name of N,N'-di(cyclooctyl)morpholine-4-carboximidamide (CID 10405561) is N,N'-di(cyclooctyl)morpholine-4-carboximidamide.
What is the SMILES notation for N,N'-di(cyclooctyl)morpholine-4-carboximidamide?
The canonical SMILES for N,N'-di(cyclooctyl)morpholine-4-carboximidamide is C1CCCC(/N=C(/NC2CCCCCCC2)N2CCOCC2)CCC1.
What is the InChIKey of N,N'-di(cyclooctyl)morpholine-4-carboximidamide?
The InChIKey is BFJMYEIOGWSIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39N3O/c1-3-7-11-19(12-8-4-1)22-21(24-15-17-25-18-16-24)23-20-13-9-5-2-6-10-14-20/h19-20H,1-18H2,(H,22,23).
What are the key properties of N,N'-di(cyclooctyl)morpholine-4-carboximidamide?
N,N'-di(cyclooctyl)morpholine-4-carboximidamide has a molecular weight of 349.56 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-di(cyclooctyl)morpholine-4-carboximidamide is sourced from PubChem (CID 10405561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).