N'-(2,2-diethyl-3-methoxycyclobutyl)-2-methylmorpholine-4-carboximidamide;hydroiodide

C15H30IN3O2 — CID 120661883

IUPACN'-(2,2-diethyl-3-methoxycyclobutyl)-2-methylmorpholine-4-carboximidamide;hydroiodide
SMILESCCC1(CC)C(/N=C(\N)N2CCOC(C)C2)CC1OC.I
InChIInChI=1S/C15H29N3O2.HI/c1-5-15(6-2)12(9-13(15)19-4)17-14(16)18-7-8-20-11(3)10-18;/h11-13H,5-10H2,1-4H3,(H2,16,17);1H
InChIKeyRKOSPGVPKLCLDJ-UHFFFAOYSA-N
MW411.33 g/mol
LogP2.23
Rot. Bonds4

About N'-(2,2-diethyl-3-methoxycyclobutyl)-2-methylmorpholine-4-carboximidamide;hydroiodide

N'-(2,2-diethyl-3-methoxycyclobutyl)-2-methylmorpholine-4-carboximidamide;hydroiodide (PubChem CID 120661883) has the molecular formula C15H30IN3O2 and a molecular weight of 411.33 g/mol. Its IUPAC name is N'-(2,2-diethyl-3-methoxycyclobutyl)-2-methylmorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-(2,2-diethyl-3-methoxycyclobutyl)-2-methylmorpholine-4-carboximidamide;hydroiodide
PubChem CID120661883
Molecular FormulaC15H30IN3O2
Molecular Weight411.33 g/mol
Exact Mass411.14
IUPAC NameN'-(2,2-diethyl-3-methoxycyclobutyl)-2-methylmorpholine-4-carboximidamide;hydroiodide
SMILESCCC1(CC)C(/N=C(\N)N2CCOC(C)C2)CC1OC.I
InChIInChI=1S/C15H29N3O2.HI/c1-5-15(6-2)12(9-13(15)19-4)17-14(16)18-7-8-20-11(3)10-18;/h11-13H,5-10H2,1-4H3,(H2,16,17);1H
InChIKeyRKOSPGVPKLCLDJ-UHFFFAOYSA-N
XLogP2.23
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.33
LogP ≤ 52.23
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'-[(1-methoxycyclopentyl)methyl]-2-methylmorpholine-4-carboximidamide
CID 122096742
2-methyl-N'-(2-methylcyclobutyl)morpholine-4-carboximidamide;hydroiodide
CID 120974006
N'-(2-methoxy-3,3-dimethylbutyl)-2-methylmorpholine-4-carboximidamide
CID 120661582
N'-(3-ethoxy-2,2-diethylcyclobutyl)thiomorpholine-4-carboximidamide
CID 111824153
N'-(2-methoxy-2-methylpropyl)-2-methylmorpholine-4-carboximidamide
CID 120661722
2-methyl-N'-(2-oxabicyclo[4.2.0]octan-7-yl)morpholine-4-carboximidamide
CID 120662194
2-methyl-N'-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 120662093
2-methyl-N'-[(2-methyloxan-4-yl)methyl]morpholine-4-carboximidamide
CID 120662006
N'-[(1R,2S)-2-(3-ethoxyphenyl)cyclopropyl]-2-methylmorpholine-4-carboximidamide
CID 120671174
2-methyl-N'-[(3-methylcyclohexyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120661395
2-methyl-N'-[2-(2-methylprop-2-enoxy)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 120661867
2-[[amino-(2-methylmorpholin-4-yl)methylidene]amino]-N-ethyl-N-methylacetamide;hydroiodide
CID 120662161

Frequently Asked Questions

What is the IUPAC name of N'-(2,2-diethyl-3-methoxycyclobutyl)-2-methylmorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-(2,2-diethyl-3-methoxycyclobutyl)-2-methylmorpholine-4-carboximidamide;hydroiodide (CID 120661883) is N'-(2,2-diethyl-3-methoxycyclobutyl)-2-methylmorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-(2,2-diethyl-3-methoxycyclobutyl)-2-methylmorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-(2,2-diethyl-3-methoxycyclobutyl)-2-methylmorpholine-4-carboximidamide;hydroiodide is CCC1(CC)C(/N=C(\N)N2CCOC(C)C2)CC1OC.I.
What is the InChIKey of N'-(2,2-diethyl-3-methoxycyclobutyl)-2-methylmorpholine-4-carboximidamide;hydroiodide?
The InChIKey is RKOSPGVPKLCLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2.HI/c1-5-15(6-2)12(9-13(15)19-4)17-14(16)18-7-8-20-11(3)10-18;/h11-13H,5-10H2,1-4H3,(H2,16,17);1H.
What are the key properties of N'-(2,2-diethyl-3-methoxycyclobutyl)-2-methylmorpholine-4-carboximidamide;hydroiodide?
N'-(2,2-diethyl-3-methoxycyclobutyl)-2-methylmorpholine-4-carboximidamide;hydroiodide has a molecular weight of 411.33 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-diethyl-3-methoxycyclobutyl)-2-methylmorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 120661883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).