N'-[2-ethyl-2-(1-phenylethylamino)butyl]morpholine-4-carboximidamide;hydroiodide

C19H33IN4O — CID 111810353

IUPACN'-[2-ethyl-2-(1-phenylethylamino)butyl]morpholine-4-carboximidamide;hydroiodide
SMILESCCC(CC)(C/N=C(\N)N1CCOCC1)NC(C)c1ccccc1.I
InChIInChI=1S/C19H32N4O.HI/c1-4-19(5-2,22-16(3)17-9-7-6-8-10-17)15-21-18(20)23-11-13-24-14-12-23;/h6-10,16,22H,4-5,11-15H2,1-3H3,(H2,20,21);1H
InChIKeyLBFPTXBBWIYCCB-UHFFFAOYSA-N
MW460.40 g/mol
LogP3.16
Rot. Bonds7

About N'-[2-ethyl-2-(1-phenylethylamino)butyl]morpholine-4-carboximidamide;hydroiodide

N'-[2-ethyl-2-(1-phenylethylamino)butyl]morpholine-4-carboximidamide;hydroiodide (PubChem CID 111810353) has the molecular formula C19H33IN4O and a molecular weight of 460.40 g/mol. Its IUPAC name is N'-[2-ethyl-2-(1-phenylethylamino)butyl]morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-ethyl-2-(1-phenylethylamino)butyl]morpholine-4-carboximidamide;hydroiodide
PubChem CID111810353
Molecular FormulaC19H33IN4O
Molecular Weight460.40 g/mol
Exact Mass460.17
IUPAC NameN'-[2-ethyl-2-(1-phenylethylamino)butyl]morpholine-4-carboximidamide;hydroiodide
SMILESCCC(CC)(C/N=C(\N)N1CCOCC1)NC(C)c1ccccc1.I
InChIInChI=1S/C19H32N4O.HI/c1-4-19(5-2,22-16(3)17-9-7-6-8-10-17)15-21-18(20)23-11-13-24-14-12-23;/h6-10,16,22H,4-5,11-15H2,1-3H3,(H2,20,21);1H
InChIKeyLBFPTXBBWIYCCB-UHFFFAOYSA-N
XLogP3.16
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.40
LogP ≤ 53.16
H-Bond Donors ≤ 52
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

2-[2-ethyl-2-(1-phenylethylamino)butyl]-1-propylguanidine;hydroiodide
CID 111810371
4-methyl-N'-[2-methyl-2-(1-phenylethylamino)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111111877
N'-(2,3-diphenylpropyl)morpholine-4-carboximidamide;hydroiodide
CID 111799879
N'-[2-(4-chlorophenyl)-2-ethylbutyl]morpholine-4-carboximidamide;hydroiodide
CID 111097140
N'-(2,3-diphenylpropyl)morpholine-4-carboximidamide
CID 111799880
N'-(2-phenoxypropyl)morpholine-4-carboximidamide
CID 111801506
tert-butyl 4-[N'-[[4-(1-phenylethylamino)oxan-4-yl]methyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111812835
3-methyl-N'-(2-morpholin-4-yl-2-phenylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111060872
1,1-diethyl-2-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)guanidine;hydroiodide
CID 111099883
3-methyl-N'-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111099903
N'-(3-methyl-2-pyridin-3-ylbutyl)morpholine-4-carboximidamide
CID 111911290
N'-(2,2-diphenylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111031155

Frequently Asked Questions

What is the IUPAC name of N'-[2-ethyl-2-(1-phenylethylamino)butyl]morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-ethyl-2-(1-phenylethylamino)butyl]morpholine-4-carboximidamide;hydroiodide (CID 111810353) is N'-[2-ethyl-2-(1-phenylethylamino)butyl]morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-ethyl-2-(1-phenylethylamino)butyl]morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-ethyl-2-(1-phenylethylamino)butyl]morpholine-4-carboximidamide;hydroiodide is CCC(CC)(C/N=C(\N)N1CCOCC1)NC(C)c1ccccc1.I.
What is the InChIKey of N'-[2-ethyl-2-(1-phenylethylamino)butyl]morpholine-4-carboximidamide;hydroiodide?
The InChIKey is LBFPTXBBWIYCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O.HI/c1-4-19(5-2,22-16(3)17-9-7-6-8-10-17)15-21-18(20)23-11-13-24-14-12-23;/h6-10,16,22H,4-5,11-15H2,1-3H3,(H2,20,21);1H.
What are the key properties of N'-[2-ethyl-2-(1-phenylethylamino)butyl]morpholine-4-carboximidamide;hydroiodide?
N'-[2-ethyl-2-(1-phenylethylamino)butyl]morpholine-4-carboximidamide;hydroiodide has a molecular weight of 460.40 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-ethyl-2-(1-phenylethylamino)butyl]morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 111810353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).