2-methyl-N'-[2-(2-methylprop-2-enoxy)ethyl]morpholine-4-carboximidamide;hydroiodide

C12H24IN3O2 — CID 120661867

IUPAC2-methyl-N'-[2-(2-methylprop-2-enoxy)ethyl]morpholine-4-carboximidamide;hydroiodide
SMILESC=C(C)COCC/N=C(\N)N1CCOC(C)C1.I
InChIInChI=1S/C12H23N3O2.HI/c1-10(2)9-16-6-4-14-12(13)15-5-7-17-11(3)8-15;/h11H,1,4-9H2,2-3H3,(H2,13,14);1H
InChIKeyWINRVPKUEBALEQ-UHFFFAOYSA-N
MW369.25 g/mol
LogP1.23
Rot. Bonds5

About 2-methyl-N'-[2-(2-methylprop-2-enoxy)ethyl]morpholine-4-carboximidamide;hydroiodide

2-methyl-N'-[2-(2-methylprop-2-enoxy)ethyl]morpholine-4-carboximidamide;hydroiodide (PubChem CID 120661867) has the molecular formula C12H24IN3O2 and a molecular weight of 369.25 g/mol. Its IUPAC name is 2-methyl-N'-[2-(2-methylprop-2-enoxy)ethyl]morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound Name2-methyl-N'-[2-(2-methylprop-2-enoxy)ethyl]morpholine-4-carboximidamide;hydroiodide
PubChem CID120661867
Molecular FormulaC12H24IN3O2
Molecular Weight369.25 g/mol
Exact Mass369.09
IUPAC Name2-methyl-N'-[2-(2-methylprop-2-enoxy)ethyl]morpholine-4-carboximidamide;hydroiodide
SMILESC=C(C)COCC/N=C(\N)N1CCOC(C)C1.I
InChIInChI=1S/C12H23N3O2.HI/c1-10(2)9-16-6-4-14-12(13)15-5-7-17-11(3)8-15;/h11H,1,4-9H2,2-3H3,(H2,13,14);1H
InChIKeyWINRVPKUEBALEQ-UHFFFAOYSA-N
XLogP1.23
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.25
LogP ≤ 51.23
H-Bond Donors ≤ 51
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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
2-methyl-N'-[2-(4-methylpiperidin-1-yl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 120661211
N'-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120661861
N'-(cyclobutylmethyl)-2-methylmorpholine-4-carboximidamide
CID 120661244
N'-[2-(tert-butylamino)ethyl]-2-methylmorpholine-4-carboximidamide
CID 120661618
2-methyl-N'-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]morpholine-4-carboximidamide;hydroiodide
CID 120661971
N'-(2-tert-butylsulfinylethyl)-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120661691
N'-[2-(1-hydroxycyclobutyl)ethyl]-2-methylmorpholine-4-carboximidamide
CID 120913754
N'-[(1-methoxycyclopentyl)methyl]-2-methylmorpholine-4-carboximidamide
CID 122096742
N'-(3-cyclopropyl-3-methylbutyl)-2-methylmorpholine-4-carboximidamide
CID 122096622
2-methyl-N'-(2-prop-2-ynylsulfanylethyl)morpholine-4-carboximidamide;hydroiodide
CID 120661743
2-methyl-N'-[(2-methyloxan-4-yl)methyl]morpholine-4-carboximidamide
CID 120662006

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[2-(2-methylprop-2-enoxy)ethyl]morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of 2-methyl-N'-[2-(2-methylprop-2-enoxy)ethyl]morpholine-4-carboximidamide;hydroiodide (CID 120661867) is 2-methyl-N'-[2-(2-methylprop-2-enoxy)ethyl]morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for 2-methyl-N'-[2-(2-methylprop-2-enoxy)ethyl]morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for 2-methyl-N'-[2-(2-methylprop-2-enoxy)ethyl]morpholine-4-carboximidamide;hydroiodide is C=C(C)COCC/N=C(\N)N1CCOC(C)C1.I.
What is the InChIKey of 2-methyl-N'-[2-(2-methylprop-2-enoxy)ethyl]morpholine-4-carboximidamide;hydroiodide?
The InChIKey is WINRVPKUEBALEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2.HI/c1-10(2)9-16-6-4-14-12(13)15-5-7-17-11(3)8-15;/h11H,1,4-9H2,2-3H3,(H2,13,14);1H.
What are the key properties of 2-methyl-N'-[2-(2-methylprop-2-enoxy)ethyl]morpholine-4-carboximidamide;hydroiodide?
2-methyl-N'-[2-(2-methylprop-2-enoxy)ethyl]morpholine-4-carboximidamide;hydroiodide has a molecular weight of 369.25 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[2-(2-methylprop-2-enoxy)ethyl]morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 120661867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).