2-methyl-N'-[(3-methylcyclohexyl)methyl]morpholine-4-carboximidamide;hydroiodide

C14H28IN3O — CID 120661395

IUPAC2-methyl-N'-[(3-methylcyclohexyl)methyl]morpholine-4-carboximidamide;hydroiodide
SMILESCC1CCCC(C/N=C(\N)N2CCOC(C)C2)C1.I
InChIInChI=1S/C14H27N3O.HI/c1-11-4-3-5-13(8-11)9-16-14(15)17-6-7-18-12(2)10-17;/h11-13H,3-10H2,1-2H3,(H2,15,16);1H
InChIKeyFGIUJBUQGCBOAC-UHFFFAOYSA-N
MW381.30 g/mol
LogP2.47
Rot. Bonds2

About 2-methyl-N'-[(3-methylcyclohexyl)methyl]morpholine-4-carboximidamide;hydroiodide

2-methyl-N'-[(3-methylcyclohexyl)methyl]morpholine-4-carboximidamide;hydroiodide (PubChem CID 120661395) has the molecular formula C14H28IN3O and a molecular weight of 381.30 g/mol. Its IUPAC name is 2-methyl-N'-[(3-methylcyclohexyl)methyl]morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound Name2-methyl-N'-[(3-methylcyclohexyl)methyl]morpholine-4-carboximidamide;hydroiodide
PubChem CID120661395
Molecular FormulaC14H28IN3O
Molecular Weight381.30 g/mol
Exact Mass381.13
IUPAC Name2-methyl-N'-[(3-methylcyclohexyl)methyl]morpholine-4-carboximidamide;hydroiodide
SMILESCC1CCCC(C/N=C(\N)N2CCOC(C)C2)C1.I
InChIInChI=1S/C14H27N3O.HI/c1-11-4-3-5-13(8-11)9-16-14(15)17-6-7-18-12(2)10-17;/h11-13H,3-10H2,1-2H3,(H2,15,16);1H
InChIKeyFGIUJBUQGCBOAC-UHFFFAOYSA-N
XLogP2.47
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.30
LogP ≤ 52.47
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N'-[(3-methylcyclopentyl)methyl]morpholine-4-carboximidamide
CID 120663210
N'-(cyclobutylmethyl)-2-methylmorpholine-4-carboximidamide
CID 120661244
2-methyl-N'-[(2-methyloxan-4-yl)methyl]morpholine-4-carboximidamide
CID 120662006
2-methyl-N'-[(2-propan-2-yloxan-4-yl)methyl]morpholine-4-carboximidamide
CID 122097698
2-methyl-N'-(5-oxaspiro[3.5]nonan-8-ylmethyl)morpholine-4-carboximidamide
CID 122097485
3-methyl-N'-[(4-methylmorpholin-2-yl)methyl]piperidine-1-carboximidamide
CID 111091304
2-methyl-N'-[2-(4-methylpiperidin-1-yl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 120661211
2-methyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboximidamide;hydroiodide
CID 120661161
2-[[amino-(2-methylmorpholin-4-yl)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide
CID 120661109
N'-[(1-methoxycyclopentyl)methyl]-2-methylmorpholine-4-carboximidamide
CID 122096742
N'-(3-cyclopropyl-3-methylbutyl)-2-methylmorpholine-4-carboximidamide
CID 122096622
N'-[(1-cyclopropylpiperidin-4-yl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 120581654

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[(3-methylcyclohexyl)methyl]morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of 2-methyl-N'-[(3-methylcyclohexyl)methyl]morpholine-4-carboximidamide;hydroiodide (CID 120661395) is 2-methyl-N'-[(3-methylcyclohexyl)methyl]morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for 2-methyl-N'-[(3-methylcyclohexyl)methyl]morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for 2-methyl-N'-[(3-methylcyclohexyl)methyl]morpholine-4-carboximidamide;hydroiodide is CC1CCCC(C/N=C(\N)N2CCOC(C)C2)C1.I.
What is the InChIKey of 2-methyl-N'-[(3-methylcyclohexyl)methyl]morpholine-4-carboximidamide;hydroiodide?
The InChIKey is FGIUJBUQGCBOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O.HI/c1-11-4-3-5-13(8-11)9-16-14(15)17-6-7-18-12(2)10-17;/h11-13H,3-10H2,1-2H3,(H2,15,16);1H.
What are the key properties of 2-methyl-N'-[(3-methylcyclohexyl)methyl]morpholine-4-carboximidamide;hydroiodide?
2-methyl-N'-[(3-methylcyclohexyl)methyl]morpholine-4-carboximidamide;hydroiodide has a molecular weight of 381.30 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[(3-methylcyclohexyl)methyl]morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 120661395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).