N'-[(1-ethylpyrrolidin-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide

C12H25IN4O — CID 111026532

IUPACN'-[(1-ethylpyrrolidin-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide
SMILESCCN1CCCC1C/N=C(\N)N1CCOCC1.I
InChIInChI=1S/C12H24N4O.HI/c1-2-15-5-3-4-11(15)10-14-12(13)16-6-8-17-9-7-16;/h11H,2-10H2,1H3,(H2,13,14);1H
InChIKeyHZNGTMZJDVYWQJ-UHFFFAOYSA-N
MW368.26 g/mol
LogP0.74
Rot. Bonds3

About N'-[(1-ethylpyrrolidin-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide

N'-[(1-ethylpyrrolidin-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide (PubChem CID 111026532) has the molecular formula C12H25IN4O and a molecular weight of 368.26 g/mol. Its IUPAC name is N'-[(1-ethylpyrrolidin-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[(1-ethylpyrrolidin-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide
PubChem CID111026532
Molecular FormulaC12H25IN4O
Molecular Weight368.26 g/mol
Exact Mass368.11
IUPAC NameN'-[(1-ethylpyrrolidin-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide
SMILESCCN1CCCC1C/N=C(\N)N1CCOCC1.I
InChIInChI=1S/C12H24N4O.HI/c1-2-15-5-3-4-11(15)10-14-12(13)16-6-8-17-9-7-16;/h11H,2-10H2,1H3,(H2,13,14);1H
InChIKeyHZNGTMZJDVYWQJ-UHFFFAOYSA-N
XLogP0.74
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.26
LogP ≤ 50.74
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

[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-pyrrolidin-1-ylmethanimine
CID 102182838
morpholin-4-yl-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanimine
CID 102182840
morpholin-4-yl-[(2S)-2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanimine
CID 102182843
[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-piperidin-1-ylmethanimine
CID 102182845
N'-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-4-carboximidamide;hydroiodide
CID 111085490
N'-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-4-carboximidamide
CID 111085491
triethyl-[[1-[(E)-N'-[N-methyl-N-[4-(4-methylmorpholin-4-ium-4-yl)butyl]carbamimidoyl]carbamimidoyl]pyrrolidin-2-yl]methyl]azanium
CID 58529161
triethyl-[[1-[N'-[N-methyl-N-[4-(4-methylmorpholin-4-ium-4-yl)butyl]carbamimidoyl]carbamimidoyl]pyrrolidin-2-yl]methyl]azanium
CID 67985975
N'-[2-(3-methylmorpholin-4-yl)propyl]azepane-1-carboximidamide
CID 86779265
triethyl-[[1-[N'-[N-[2-ethyl-4-(4-methylmorpholin-4-ium-4-yl)butyl]-N-methylcarbamimidoyl]carbamimidoyl]pyrrolidin-2-yl]methyl]azanium
CID 123323406
triethyl-[[1-[N'-[N-methyl-N-[4-(3-methylmorpholin-4-yl)butyl]carbamimidoyl]carbamimidoyl]pyrrolidin-2-yl]methyl]azanium
CID 123600864
triethyl-[[1-[N'-[N-methyl-N-[2-methyl-4-(4-methylmorpholin-4-ium-4-yl)butyl]carbamimidoyl]carbamimidoyl]pyrrolidin-2-yl]methyl]azanium
CID 124014885

Frequently Asked Questions

What is the IUPAC name of N'-[(1-ethylpyrrolidin-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[(1-ethylpyrrolidin-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide (CID 111026532) is N'-[(1-ethylpyrrolidin-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[(1-ethylpyrrolidin-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[(1-ethylpyrrolidin-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide is CCN1CCCC1C/N=C(\N)N1CCOCC1.I.
What is the InChIKey of N'-[(1-ethylpyrrolidin-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide?
The InChIKey is HZNGTMZJDVYWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O.HI/c1-2-15-5-3-4-11(15)10-14-12(13)16-6-8-17-9-7-16;/h11H,2-10H2,1H3,(H2,13,14);1H.
What are the key properties of N'-[(1-ethylpyrrolidin-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide?
N'-[(1-ethylpyrrolidin-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide has a molecular weight of 368.26 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-ethylpyrrolidin-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 111026532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).