N'-[2-(1-hydroxycyclobutyl)ethyl]-2-methylmorpholine-4-carboximidamide

C12H23N3O2 — CID 120913754

IUPACN'-[2-(1-hydroxycyclobutyl)ethyl]-2-methylmorpholine-4-carboximidamide
SMILESCC1CN(/C(N)=N/CCC2(O)CCC2)CCO1
InChIInChI=1S/C12H23N3O2/c1-10-9-15(7-8-17-10)11(13)14-6-5-12(16)3-2-4-12/h10,16H,2-9H2,1H3,(H2,13,14)
InChIKeyDYFYTPBOYQGQOZ-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.33
Rot. Bonds3

About N'-[2-(1-hydroxycyclobutyl)ethyl]-2-methylmorpholine-4-carboximidamide

N'-[2-(1-hydroxycyclobutyl)ethyl]-2-methylmorpholine-4-carboximidamide (PubChem CID 120913754) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N'-[2-(1-hydroxycyclobutyl)ethyl]-2-methylmorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[2-(1-hydroxycyclobutyl)ethyl]-2-methylmorpholine-4-carboximidamide
PubChem CID120913754
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN'-[2-(1-hydroxycyclobutyl)ethyl]-2-methylmorpholine-4-carboximidamide
SMILESCC1CN(/C(N)=N/CCC2(O)CCC2)CCO1
InChIInChI=1S/C12H23N3O2/c1-10-9-15(7-8-17-10)11(13)14-6-5-12(16)3-2-4-12/h10,16H,2-9H2,1H3,(H2,13,14)
InChIKeyDYFYTPBOYQGQOZ-UHFFFAOYSA-N
XLogP0.33
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N'-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 120662093
N'-[(1-methoxycyclopentyl)methyl]-2-methylmorpholine-4-carboximidamide
CID 122096742
2-methyl-N'-[(2-methyloxolan-2-yl)methyl]morpholine-4-carboximidamide
CID 120661826
N'-(cyclobutylmethyl)-2-methylmorpholine-4-carboximidamide
CID 120661244
N'-[2-(tert-butylamino)ethyl]-2-methylmorpholine-4-carboximidamide
CID 120661618
2-methyl-N'-[2-(4-methylpiperidin-1-yl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 120661211
N'-(3-cyclopropyl-3-methylbutyl)-2-methylmorpholine-4-carboximidamide
CID 122096622
2-methyl-N'-(5-oxaspiro[3.5]nonan-8-ylmethyl)morpholine-4-carboximidamide
CID 122097485
2-methyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboximidamide;hydroiodide
CID 120661161
2-methyl-N'-[2-(2-methylprop-2-enoxy)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 120661867
N'-(2-tert-butylsulfinylethyl)-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120661691
1-[[[amino-(2-methylmorpholin-4-yl)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
CID 120661703

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1-hydroxycyclobutyl)ethyl]-2-methylmorpholine-4-carboximidamide?
The IUPAC name of N'-[2-(1-hydroxycyclobutyl)ethyl]-2-methylmorpholine-4-carboximidamide (CID 120913754) is N'-[2-(1-hydroxycyclobutyl)ethyl]-2-methylmorpholine-4-carboximidamide.
What is the SMILES notation for N'-[2-(1-hydroxycyclobutyl)ethyl]-2-methylmorpholine-4-carboximidamide?
The canonical SMILES for N'-[2-(1-hydroxycyclobutyl)ethyl]-2-methylmorpholine-4-carboximidamide is CC1CN(/C(N)=N/CCC2(O)CCC2)CCO1.
What is the InChIKey of N'-[2-(1-hydroxycyclobutyl)ethyl]-2-methylmorpholine-4-carboximidamide?
The InChIKey is DYFYTPBOYQGQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-10-9-15(7-8-17-10)11(13)14-6-5-12(16)3-2-4-12/h10,16H,2-9H2,1H3,(H2,13,14).
What are the key properties of N'-[2-(1-hydroxycyclobutyl)ethyl]-2-methylmorpholine-4-carboximidamide?
N'-[2-(1-hydroxycyclobutyl)ethyl]-2-methylmorpholine-4-carboximidamide has a molecular weight of 241.33 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1-hydroxycyclobutyl)ethyl]-2-methylmorpholine-4-carboximidamide is sourced from PubChem (CID 120913754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).