N'-[2-(tert-butylamino)ethyl]-2-methylmorpholine-4-carboximidamide

C12H26N4O — CID 120661618

IUPACN'-[2-(tert-butylamino)ethyl]-2-methylmorpholine-4-carboximidamide
SMILESCC1CN(/C(N)=N/CCNC(C)(C)C)CCO1
InChIInChI=1S/C12H26N4O/c1-10-9-16(7-8-17-10)11(13)14-5-6-15-12(2,3)4/h10,15H,5-9H2,1-4H3,(H2,13,14)
InChIKeyOKFXGHBSUSMFAD-UHFFFAOYSA-N
MW242.37 g/mol
LogP0.41
Rot. Bonds3

About N'-[2-(tert-butylamino)ethyl]-2-methylmorpholine-4-carboximidamide

N'-[2-(tert-butylamino)ethyl]-2-methylmorpholine-4-carboximidamide (PubChem CID 120661618) has the molecular formula C12H26N4O and a molecular weight of 242.37 g/mol. Its IUPAC name is N'-[2-(tert-butylamino)ethyl]-2-methylmorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[2-(tert-butylamino)ethyl]-2-methylmorpholine-4-carboximidamide
PubChem CID120661618
Molecular FormulaC12H26N4O
Molecular Weight242.37 g/mol
Exact Mass242.21
IUPAC NameN'-[2-(tert-butylamino)ethyl]-2-methylmorpholine-4-carboximidamide
SMILESCC1CN(/C(N)=N/CCNC(C)(C)C)CCO1
InChIInChI=1S/C12H26N4O/c1-10-9-16(7-8-17-10)11(13)14-5-6-15-12(2,3)4/h10,15H,5-9H2,1-4H3,(H2,13,14)
InChIKeyOKFXGHBSUSMFAD-UHFFFAOYSA-N
XLogP0.41
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 50.41
H-Bond Donors ≤ 52
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'-[2-(tert-butylamino)ethyl]-2-methylmorpholine-4-carboximidamide?
The IUPAC name of N'-[2-(tert-butylamino)ethyl]-2-methylmorpholine-4-carboximidamide (CID 120661618) is N'-[2-(tert-butylamino)ethyl]-2-methylmorpholine-4-carboximidamide.
What is the SMILES notation for N'-[2-(tert-butylamino)ethyl]-2-methylmorpholine-4-carboximidamide?
The canonical SMILES for N'-[2-(tert-butylamino)ethyl]-2-methylmorpholine-4-carboximidamide is CC1CN(/C(N)=N/CCNC(C)(C)C)CCO1.
What is the InChIKey of N'-[2-(tert-butylamino)ethyl]-2-methylmorpholine-4-carboximidamide?
The InChIKey is OKFXGHBSUSMFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O/c1-10-9-16(7-8-17-10)11(13)14-5-6-15-12(2,3)4/h10,15H,5-9H2,1-4H3,(H2,13,14).
What are the key properties of N'-[2-(tert-butylamino)ethyl]-2-methylmorpholine-4-carboximidamide?
N'-[2-(tert-butylamino)ethyl]-2-methylmorpholine-4-carboximidamide has a molecular weight of 242.37 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(tert-butylamino)ethyl]-2-methylmorpholine-4-carboximidamide is sourced from PubChem (CID 120661618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).