N'-[(2-methyl-1,3-dihydroinden-2-yl)methyl]morpholine-4-carboximidamide

C16H23N3O — CID 75515058

IUPACN'-[(2-methyl-1,3-dihydroinden-2-yl)methyl]morpholine-4-carboximidamide
SMILESCC1(C/N=C(\N)N2CCOCC2)Cc2ccccc2C1
InChIInChI=1S/C16H23N3O/c1-16(10-13-4-2-3-5-14(13)11-16)12-18-15(17)19-6-8-20-9-7-19/h2-5H,6-12H2,1H3,(H2,17,18)
InChIKeyZAFXSHHGNURXGH-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.44
Rot. Bonds2

About N'-[(2-methyl-1,3-dihydroinden-2-yl)methyl]morpholine-4-carboximidamide

N'-[(2-methyl-1,3-dihydroinden-2-yl)methyl]morpholine-4-carboximidamide (PubChem CID 75515058) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N'-[(2-methyl-1,3-dihydroinden-2-yl)methyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[(2-methyl-1,3-dihydroinden-2-yl)methyl]morpholine-4-carboximidamide
PubChem CID75515058
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN'-[(2-methyl-1,3-dihydroinden-2-yl)methyl]morpholine-4-carboximidamide
SMILESCC1(C/N=C(\N)N2CCOCC2)Cc2ccccc2C1
InChIInChI=1S/C16H23N3O/c1-16(10-13-4-2-3-5-14(13)11-16)12-18-15(17)19-6-8-20-9-7-19/h2-5H,6-12H2,1H3,(H2,17,18)
InChIKeyZAFXSHHGNURXGH-UHFFFAOYSA-N
XLogP1.44
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.44
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(2-methyl-1,3-dihydroinden-2-yl)methyl]morpholine-4-carboximidamide?
The IUPAC name of N'-[(2-methyl-1,3-dihydroinden-2-yl)methyl]morpholine-4-carboximidamide (CID 75515058) is N'-[(2-methyl-1,3-dihydroinden-2-yl)methyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[(2-methyl-1,3-dihydroinden-2-yl)methyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[(2-methyl-1,3-dihydroinden-2-yl)methyl]morpholine-4-carboximidamide is CC1(C/N=C(\N)N2CCOCC2)Cc2ccccc2C1.
What is the InChIKey of N'-[(2-methyl-1,3-dihydroinden-2-yl)methyl]morpholine-4-carboximidamide?
The InChIKey is ZAFXSHHGNURXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-16(10-13-4-2-3-5-14(13)11-16)12-18-15(17)19-6-8-20-9-7-19/h2-5H,6-12H2,1H3,(H2,17,18).
What are the key properties of N'-[(2-methyl-1,3-dihydroinden-2-yl)methyl]morpholine-4-carboximidamide?
N'-[(2-methyl-1,3-dihydroinden-2-yl)methyl]morpholine-4-carboximidamide has a molecular weight of 273.38 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-methyl-1,3-dihydroinden-2-yl)methyl]morpholine-4-carboximidamide is sourced from PubChem (CID 75515058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).