N'-[(1-methoxycyclopentyl)methyl]-2-methylmorpholine-4-carboximidamide

C13H25N3O2 — CID 122096742

IUPACN'-[(1-methoxycyclopentyl)methyl]-2-methylmorpholine-4-carboximidamide
SMILESCOC1(C/N=C(\N)N2CCOC(C)C2)CCCC1
InChIInChI=1S/C13H25N3O2/c1-11-9-16(7-8-18-11)12(14)15-10-13(17-2)5-3-4-6-13/h11H,3-10H2,1-2H3,(H2,14,15)
InChIKeyQSEIIRSNQJLFQT-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.98
Rot. Bonds3

About N'-[(1-methoxycyclopentyl)methyl]-2-methylmorpholine-4-carboximidamide

N'-[(1-methoxycyclopentyl)methyl]-2-methylmorpholine-4-carboximidamide (PubChem CID 122096742) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N'-[(1-methoxycyclopentyl)methyl]-2-methylmorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[(1-methoxycyclopentyl)methyl]-2-methylmorpholine-4-carboximidamide
PubChem CID122096742
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN'-[(1-methoxycyclopentyl)methyl]-2-methylmorpholine-4-carboximidamide
SMILESCOC1(C/N=C(\N)N2CCOC(C)C2)CCCC1
InChIInChI=1S/C13H25N3O2/c1-11-9-16(7-8-18-11)12(14)15-10-13(17-2)5-3-4-6-13/h11H,3-10H2,1-2H3,(H2,14,15)
InChIKeyQSEIIRSNQJLFQT-UHFFFAOYSA-N
XLogP0.98
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.98
H-Bond Donors ≤ 51
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

1-[[[amino-(2-methylmorpholin-4-yl)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
CID 120661703
2-methyl-N'-[(2-methyloxolan-2-yl)methyl]morpholine-4-carboximidamide
CID 120661826
4-[[[amino-(2-methylmorpholin-4-yl)methylidene]amino]methyl]oxane-4-carboxamide;hydroiodide
CID 120661307
N'-[2-(1-hydroxycyclobutyl)ethyl]-2-methylmorpholine-4-carboximidamide
CID 120913754
2-methyl-N'-(5-oxaspiro[3.5]nonan-8-ylmethyl)morpholine-4-carboximidamide
CID 122097485
N'-(2-methoxy-2-methylpropyl)-2-methylmorpholine-4-carboximidamide
CID 120661722
N'-(cyclobutylmethyl)-2-methylmorpholine-4-carboximidamide
CID 120661244
2-methyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboximidamide;hydroiodide
CID 120661161
2-methyl-N'-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 120662093
N'-(2-methoxy-3,3-dimethylbutyl)-2-methylmorpholine-4-carboximidamide
CID 120661582
2-methyl-N'-[(2-methyloxan-4-yl)methyl]morpholine-4-carboximidamide
CID 120662006
2-methyl-N'-(2-methyl-2-piperidin-1-ylpropyl)morpholine-4-carboximidamide;hydroiodide
CID 120661073

Frequently Asked Questions

What is the IUPAC name of N'-[(1-methoxycyclopentyl)methyl]-2-methylmorpholine-4-carboximidamide?
The IUPAC name of N'-[(1-methoxycyclopentyl)methyl]-2-methylmorpholine-4-carboximidamide (CID 122096742) is N'-[(1-methoxycyclopentyl)methyl]-2-methylmorpholine-4-carboximidamide.
What is the SMILES notation for N'-[(1-methoxycyclopentyl)methyl]-2-methylmorpholine-4-carboximidamide?
The canonical SMILES for N'-[(1-methoxycyclopentyl)methyl]-2-methylmorpholine-4-carboximidamide is COC1(C/N=C(\N)N2CCOC(C)C2)CCCC1.
What is the InChIKey of N'-[(1-methoxycyclopentyl)methyl]-2-methylmorpholine-4-carboximidamide?
The InChIKey is QSEIIRSNQJLFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-11-9-16(7-8-18-11)12(14)15-10-13(17-2)5-3-4-6-13/h11H,3-10H2,1-2H3,(H2,14,15).
What are the key properties of N'-[(1-methoxycyclopentyl)methyl]-2-methylmorpholine-4-carboximidamide?
N'-[(1-methoxycyclopentyl)methyl]-2-methylmorpholine-4-carboximidamide has a molecular weight of 255.36 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-methoxycyclopentyl)methyl]-2-methylmorpholine-4-carboximidamide is sourced from PubChem (CID 122096742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).