N'-[2-(2,3-dihydroindol-1-yl)propyl]morpholine-4-carboximidamide

C16H24N4O — CID 111067772

IUPACN'-[2-(2,3-dihydroindol-1-yl)propyl]morpholine-4-carboximidamide
SMILESCC(C/N=C(\N)N1CCOCC1)N1CCc2ccccc21
InChIInChI=1S/C16H24N4O/c1-13(12-18-16(17)19-8-10-21-11-9-19)20-7-6-14-4-2-3-5-15(14)20/h2-5,13H,6-12H2,1H3,(H2,17,18)
InChIKeyCQCHMLUENQCILD-UHFFFAOYSA-N
MW288.40 g/mol
LogP1.08
Rot. Bonds3

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

N'-[2-(2,3-dihydroindol-1-yl)propyl]morpholine-4-carboximidamide (PubChem CID 111067772) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is N'-[2-(2,3-dihydroindol-1-yl)propyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[2-(2,3-dihydroindol-1-yl)propyl]morpholine-4-carboximidamide
PubChem CID111067772
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC NameN'-[2-(2,3-dihydroindol-1-yl)propyl]morpholine-4-carboximidamide
SMILESCC(C/N=C(\N)N1CCOCC1)N1CCc2ccccc21
InChIInChI=1S/C16H24N4O/c1-13(12-18-16(17)19-8-10-21-11-9-19)20-7-6-14-4-2-3-5-15(14)20/h2-5,13H,6-12H2,1H3,(H2,17,18)
InChIKeyCQCHMLUENQCILD-UHFFFAOYSA-N
XLogP1.08
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 51.08
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'}

Analyze N'-[2-(2,3-dihydroindol-1-yl)propyl]morpholine-4-carboximidamide 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'-[2-(2,3-dihydroindol-1-yl)propyl]-2-methylmorpholine-4-carboximidamide
CID 120661302
2-[2-(2,3-dihydroindol-1-yl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111067792
2-[2-(2,3-dihydroindol-1-yl)propyl]-1-(3-methylbutyl)guanidine
CID 111067766
2-[2-(2,3-dihydroindol-1-yl)propyl]-1-ethyl-3-(3-morpholin-4-ylpropyl)guanidine
CID 110971973
N'-(2-morpholin-4-ylpropyl)morpholine-4-carboximidamide
CID 111055185
N'-(2-phenoxypropyl)morpholine-4-carboximidamide
CID 111801506
N'-[2-(4-methylpiperazin-1-yl)propyl]morpholine-4-carboximidamide
CID 111090365
N'-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]morpholine-4-carboximidamide
CID 111083219
1-(cyclobutylmethyl)-2-[2-(2,3-dihydroindol-1-yl)propyl]guanidine;hydroiodide
CID 111067803
N'-[(2-methyl-1,3-dihydroinden-2-yl)methyl]morpholine-4-carboximidamide
CID 75515058
1-(3-chloro-4-methoxyphenyl)-2-[2-(2,3-dihydroindol-1-yl)propyl]guanidine
CID 111067812
2-[2-(2,3-dihydroindol-1-yl)propyl]-1-ethyl-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111343888

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,3-dihydroindol-1-yl)propyl]morpholine-4-carboximidamide?
The IUPAC name of N'-[2-(2,3-dihydroindol-1-yl)propyl]morpholine-4-carboximidamide (CID 111067772) is N'-[2-(2,3-dihydroindol-1-yl)propyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[2-(2,3-dihydroindol-1-yl)propyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[2-(2,3-dihydroindol-1-yl)propyl]morpholine-4-carboximidamide is CC(C/N=C(\N)N1CCOCC1)N1CCc2ccccc21.
What is the InChIKey of N'-[2-(2,3-dihydroindol-1-yl)propyl]morpholine-4-carboximidamide?
The InChIKey is CQCHMLUENQCILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-13(12-18-16(17)19-8-10-21-11-9-19)20-7-6-14-4-2-3-5-15(14)20/h2-5,13H,6-12H2,1H3,(H2,17,18).
What are the key properties of N'-[2-(2,3-dihydroindol-1-yl)propyl]morpholine-4-carboximidamide?
N'-[2-(2,3-dihydroindol-1-yl)propyl]morpholine-4-carboximidamide has a molecular weight of 288.40 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,3-dihydroindol-1-yl)propyl]morpholine-4-carboximidamide is sourced from PubChem (CID 111067772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).