N'-[(1-phenylcyclopropyl)methyl]morpholine-4-carboximidamide;hydroiodide

C15H22IN3O — CID 111038801

IUPACN'-[(1-phenylcyclopropyl)methyl]morpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CC1(c2ccccc2)CC1)N1CCOCC1
InChIInChI=1S/C15H21N3O.HI/c16-14(18-8-10-19-11-9-18)17-12-15(6-7-15)13-4-2-1-3-5-13;/h1-5H,6-12H2,(H2,16,17);1H
InChIKeyOKOPZGDDFDLTAY-UHFFFAOYSA-N
MW387.27 g/mol
LogP1.98
Rot. Bonds3

About N'-[(1-phenylcyclopropyl)methyl]morpholine-4-carboximidamide;hydroiodide

N'-[(1-phenylcyclopropyl)methyl]morpholine-4-carboximidamide;hydroiodide (PubChem CID 111038801) has the molecular formula C15H22IN3O and a molecular weight of 387.27 g/mol. Its IUPAC name is N'-[(1-phenylcyclopropyl)methyl]morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[(1-phenylcyclopropyl)methyl]morpholine-4-carboximidamide;hydroiodide
PubChem CID111038801
Molecular FormulaC15H22IN3O
Molecular Weight387.27 g/mol
Exact Mass387.08
IUPAC NameN'-[(1-phenylcyclopropyl)methyl]morpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CC1(c2ccccc2)CC1)N1CCOCC1
InChIInChI=1S/C15H21N3O.HI/c16-14(18-8-10-19-11-9-18)17-12-15(6-7-15)13-4-2-1-3-5-13;/h1-5H,6-12H2,(H2,16,17);1H
InChIKeyOKOPZGDDFDLTAY-UHFFFAOYSA-N
XLogP1.98
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.27
LogP ≤ 51.98
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

N'-[(1-phenylcyclobutyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111038642
N'-[[1-(3-bromophenyl)cyclopropyl]methyl]morpholine-4-carboximidamide
CID 111812086
N'-[(1-phenylcyclopropyl)methyl]thiomorpholine-4-carboximidamide
CID 111038851
N'-[[1-(4-bromophenyl)cyclobutyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111077358
4-(4-chlorophenyl)-N'-[(4-phenyloxan-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111068031
N'-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111080854
3-methyl-N'-[(1-phenylcyclopropyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111038838
N'-[[1-(2-methoxyphenyl)cyclopentyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111078968
N'-[(1-phenylcyclobutyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119117895
N'-[(1-thiophen-2-ylcyclohexyl)methyl]morpholine-4-carboximidamide
CID 111818118
N'-[(2-methyl-1,3-dihydroinden-2-yl)methyl]morpholine-4-carboximidamide
CID 75515058
N'-[[4-(2-chlorophenyl)oxan-4-yl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111805279

Frequently Asked Questions

What is the IUPAC name of N'-[(1-phenylcyclopropyl)methyl]morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[(1-phenylcyclopropyl)methyl]morpholine-4-carboximidamide;hydroiodide (CID 111038801) is N'-[(1-phenylcyclopropyl)methyl]morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[(1-phenylcyclopropyl)methyl]morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[(1-phenylcyclopropyl)methyl]morpholine-4-carboximidamide;hydroiodide is I.N/C(=N\CC1(c2ccccc2)CC1)N1CCOCC1.
What is the InChIKey of N'-[(1-phenylcyclopropyl)methyl]morpholine-4-carboximidamide;hydroiodide?
The InChIKey is OKOPZGDDFDLTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O.HI/c16-14(18-8-10-19-11-9-18)17-12-15(6-7-15)13-4-2-1-3-5-13;/h1-5H,6-12H2,(H2,16,17);1H.
What are the key properties of N'-[(1-phenylcyclopropyl)methyl]morpholine-4-carboximidamide;hydroiodide?
N'-[(1-phenylcyclopropyl)methyl]morpholine-4-carboximidamide;hydroiodide has a molecular weight of 387.27 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-phenylcyclopropyl)methyl]morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 111038801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).