2-methyl-N'-(2-methyl-2-piperidin-1-ylpropyl)morpholine-4-carboximidamide;hydroiodide

C15H31IN4O — CID 120661073

IUPAC2-methyl-N'-(2-methyl-2-piperidin-1-ylpropyl)morpholine-4-carboximidamide;hydroiodide
SMILESCC1CN(/C(N)=N/CC(C)(C)N2CCCCC2)CCO1.I
InChIInChI=1S/C15H30N4O.HI/c1-13-11-18(9-10-20-13)14(16)17-12-15(2,3)19-7-5-4-6-8-19;/h13H,4-12H2,1-3H3,(H2,16,17);1H
InChIKeyLWWVDEZAXWKKIG-UHFFFAOYSA-N
MW410.34 g/mol
LogP1.90
Rot. Bonds3

About 2-methyl-N'-(2-methyl-2-piperidin-1-ylpropyl)morpholine-4-carboximidamide;hydroiodide

2-methyl-N'-(2-methyl-2-piperidin-1-ylpropyl)morpholine-4-carboximidamide;hydroiodide (PubChem CID 120661073) has the molecular formula C15H31IN4O and a molecular weight of 410.34 g/mol. Its IUPAC name is 2-methyl-N'-(2-methyl-2-piperidin-1-ylpropyl)morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound Name2-methyl-N'-(2-methyl-2-piperidin-1-ylpropyl)morpholine-4-carboximidamide;hydroiodide
PubChem CID120661073
Molecular FormulaC15H31IN4O
Molecular Weight410.34 g/mol
Exact Mass410.15
IUPAC Name2-methyl-N'-(2-methyl-2-piperidin-1-ylpropyl)morpholine-4-carboximidamide;hydroiodide
SMILESCC1CN(/C(N)=N/CC(C)(C)N2CCCCC2)CCO1.I
InChIInChI=1S/C15H30N4O.HI/c1-13-11-18(9-10-20-13)14(16)17-12-15(2,3)19-7-5-4-6-8-19;/h13H,4-12H2,1-3H3,(H2,16,17);1H
InChIKeyLWWVDEZAXWKKIG-UHFFFAOYSA-N
XLogP1.90
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.34
LogP ≤ 51.90
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N'-(2-methoxy-2-methylpropyl)-2-methylmorpholine-4-carboximidamide
CID 120661722
2-methyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboximidamide;hydroiodide
CID 120661161
N'-(2-methoxy-3,3-dimethylbutyl)-2-methylmorpholine-4-carboximidamide
CID 120661582
N'-(2-ethyl-2-methylsulfanylbutyl)-2-methylmorpholine-4-carboximidamide
CID 120661776
N'-(cyclobutylmethyl)-2-methylmorpholine-4-carboximidamide
CID 120661244
N'-[2-(tert-butylamino)ethyl]-2-methylmorpholine-4-carboximidamide
CID 120661618
2-[[amino-(2-methylmorpholin-4-yl)methylidene]amino]-N-tert-butylacetamide;hydroiodide
CID 120661115
N'-(2-tert-butylsulfinylethyl)-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120661691
N'-[(1-methoxycyclopentyl)methyl]-2-methylmorpholine-4-carboximidamide
CID 122096742
N'-(3-cyclopropyl-3-methylbutyl)-2-methylmorpholine-4-carboximidamide
CID 122096622
N'-[2-(3,5-difluorophenoxy)-2-methylpropyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120973008
2-methyl-N'-[(2-methyloxolan-2-yl)methyl]morpholine-4-carboximidamide
CID 120661826

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-(2-methyl-2-piperidin-1-ylpropyl)morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of 2-methyl-N'-(2-methyl-2-piperidin-1-ylpropyl)morpholine-4-carboximidamide;hydroiodide (CID 120661073) is 2-methyl-N'-(2-methyl-2-piperidin-1-ylpropyl)morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for 2-methyl-N'-(2-methyl-2-piperidin-1-ylpropyl)morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for 2-methyl-N'-(2-methyl-2-piperidin-1-ylpropyl)morpholine-4-carboximidamide;hydroiodide is CC1CN(/C(N)=N/CC(C)(C)N2CCCCC2)CCO1.I.
What is the InChIKey of 2-methyl-N'-(2-methyl-2-piperidin-1-ylpropyl)morpholine-4-carboximidamide;hydroiodide?
The InChIKey is LWWVDEZAXWKKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O.HI/c1-13-11-18(9-10-20-13)14(16)17-12-15(2,3)19-7-5-4-6-8-19;/h13H,4-12H2,1-3H3,(H2,16,17);1H.
What are the key properties of 2-methyl-N'-(2-methyl-2-piperidin-1-ylpropyl)morpholine-4-carboximidamide;hydroiodide?
2-methyl-N'-(2-methyl-2-piperidin-1-ylpropyl)morpholine-4-carboximidamide;hydroiodide has a molecular weight of 410.34 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-(2-methyl-2-piperidin-1-ylpropyl)morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 120661073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).