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

C16H24IN3O — CID 111038642

IUPACN'-[(1-phenylcyclobutyl)methyl]morpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CC1(c2ccccc2)CCC1)N1CCOCC1
InChIInChI=1S/C16H23N3O.HI/c17-15(19-9-11-20-12-10-19)18-13-16(7-4-8-16)14-5-2-1-3-6-14;/h1-3,5-6H,4,7-13H2,(H2,17,18);1H
InChIKeyQAXJALAHHBLKOO-UHFFFAOYSA-N
MW401.29 g/mol
LogP2.37
Rot. Bonds3

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

N'-[(1-phenylcyclobutyl)methyl]morpholine-4-carboximidamide;hydroiodide (PubChem CID 111038642) has the molecular formula C16H24IN3O and a molecular weight of 401.29 g/mol. Its IUPAC name is N'-[(1-phenylcyclobutyl)methyl]morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[(1-phenylcyclobutyl)methyl]morpholine-4-carboximidamide;hydroiodide
PubChem CID111038642
Molecular FormulaC16H24IN3O
Molecular Weight401.29 g/mol
Exact Mass401.10
IUPAC NameN'-[(1-phenylcyclobutyl)methyl]morpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CC1(c2ccccc2)CCC1)N1CCOCC1
InChIInChI=1S/C16H23N3O.HI/c17-15(19-9-11-20-12-10-19)18-13-16(7-4-8-16)14-5-2-1-3-6-14;/h1-3,5-6H,4,7-13H2,(H2,17,18);1H
InChIKeyQAXJALAHHBLKOO-UHFFFAOYSA-N
XLogP2.37
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.29
LogP ≤ 52.37
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'}

Analyze N'-[(1-phenylcyclobutyl)methyl]morpholine-4-carboximidamide;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(1-phenylcyclopropyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111038801
N'-[[1-(4-bromophenyl)cyclobutyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111077358
N'-[(1-phenylcyclobutyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119117895
4-(4-chlorophenyl)-N'-[(4-phenyloxan-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111068031
N'-[[1-(3-bromophenyl)cyclopropyl]methyl]morpholine-4-carboximidamide
CID 111812086
N'-[[1-(2-methoxyphenyl)cyclopentyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111078968
N'-[(1-phenylcyclopropyl)methyl]thiomorpholine-4-carboximidamide
CID 111038851
N'-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111080854
N'-[(1-thiophen-2-ylcyclohexyl)methyl]morpholine-4-carboximidamide
CID 111818118
3-methyl-N'-[(1-phenylcyclopropyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111038838
N'-[[1-(4-fluorophenyl)cyclobutyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111091599
2-[(1-phenylcyclopentyl)methyl]guanidine;hydroiodide
CID 110914388

Frequently Asked Questions

What is the IUPAC name of N'-[(1-phenylcyclobutyl)methyl]morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[(1-phenylcyclobutyl)methyl]morpholine-4-carboximidamide;hydroiodide (CID 111038642) is N'-[(1-phenylcyclobutyl)methyl]morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[(1-phenylcyclobutyl)methyl]morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[(1-phenylcyclobutyl)methyl]morpholine-4-carboximidamide;hydroiodide is I.N/C(=N\CC1(c2ccccc2)CCC1)N1CCOCC1.
What is the InChIKey of N'-[(1-phenylcyclobutyl)methyl]morpholine-4-carboximidamide;hydroiodide?
The InChIKey is QAXJALAHHBLKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O.HI/c17-15(19-9-11-20-12-10-19)18-13-16(7-4-8-16)14-5-2-1-3-6-14;/h1-3,5-6H,4,7-13H2,(H2,17,18);1H.
What are the key properties of N'-[(1-phenylcyclobutyl)methyl]morpholine-4-carboximidamide;hydroiodide?
N'-[(1-phenylcyclobutyl)methyl]morpholine-4-carboximidamide;hydroiodide has a molecular weight of 401.29 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-phenylcyclobutyl)methyl]morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 111038642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).