N'-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-2,3-dihydroindole-1-carboximidamide

C20H32N4O — CID 110985146

IUPACN'-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-2,3-dihydroindole-1-carboximidamide
SMILESC/N=C(\NCC(CC(C)C)N1CCOCC1)N1CCc2ccccc21
InChIInChI=1S/C20H32N4O/c1-16(2)14-18(23-10-12-25-13-11-23)15-22-20(21-3)24-9-8-17-6-4-5-7-19(17)24/h4-7,16,18H,8-15H2,1-3H3,(H,21,22)
InChIKeyURQYHYKPXWXIOM-UHFFFAOYSA-N
MW344.50 g/mol
LogP2.37
Rot. Bonds5

About N'-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-2,3-dihydroindole-1-carboximidamide

N'-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-2,3-dihydroindole-1-carboximidamide (PubChem CID 110985146) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is N'-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-2,3-dihydroindole-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-2,3-dihydroindole-1-carboximidamide
PubChem CID110985146
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC NameN'-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-2,3-dihydroindole-1-carboximidamide
SMILESC/N=C(\NCC(CC(C)C)N1CCOCC1)N1CCc2ccccc21
InChIInChI=1S/C20H32N4O/c1-16(2)14-18(23-10-12-25-13-11-23)15-22-20(21-3)24-9-8-17-6-4-5-7-19(17)24/h4-7,16,18H,8-15H2,1-3H3,(H,21,22)
InChIKeyURQYHYKPXWXIOM-UHFFFAOYSA-N
XLogP2.37
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.37
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'}

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Related Compounds

N'-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2,3-dihydroindole-1-carboximidamide
CID 110983986
N-(2-hydroxy-2-phenylethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 119116456
N'-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111221102
1-benzyl-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine
CID 110954790
N-(2-methoxy-2-phenylethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110983389
N-[2-[di(propan-2-yl)amino]ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 110984324
N-[2-(4-fluorophenyl)-2-methoxyethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 111548721
N'-methyl-N-pentyl-2,3-dihydroindole-1-carboximidamide
CID 110984242
3-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-2,3-dihydroindole-1-carboxamide
CID 87003405
1-[(2-fluorophenyl)methyl]-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine
CID 111266471
N'-methyl-N-[2-(3-methylmorpholin-4-yl)ethyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 119116501
N-(furan-2-ylmethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 110984232

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-2,3-dihydroindole-1-carboximidamide?
The IUPAC name of N'-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-2,3-dihydroindole-1-carboximidamide (CID 110985146) is N'-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-2,3-dihydroindole-1-carboximidamide.
What is the SMILES notation for N'-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-2,3-dihydroindole-1-carboximidamide?
The canonical SMILES for N'-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-2,3-dihydroindole-1-carboximidamide is C/N=C(\NCC(CC(C)C)N1CCOCC1)N1CCc2ccccc21.
What is the InChIKey of N'-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-2,3-dihydroindole-1-carboximidamide?
The InChIKey is URQYHYKPXWXIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O/c1-16(2)14-18(23-10-12-25-13-11-23)15-22-20(21-3)24-9-8-17-6-4-5-7-19(17)24/h4-7,16,18H,8-15H2,1-3H3,(H,21,22).
What are the key properties of N'-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-2,3-dihydroindole-1-carboximidamide?
N'-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-2,3-dihydroindole-1-carboximidamide has a molecular weight of 344.50 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-2,3-dihydroindole-1-carboximidamide is sourced from PubChem (CID 110985146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).