N'-(3-ethoxypropyl)-N-ethyl-2,3-dihydroindole-1-carboximidamide

C16H25N3O — CID 110984024

IUPACN'-(3-ethoxypropyl)-N-ethyl-2,3-dihydroindole-1-carboximidamide
SMILESCCN/C(=N\CCCOCC)N1CCc2ccccc21
InChIInChI=1S/C16H25N3O/c1-3-17-16(18-11-7-13-20-4-2)19-12-10-14-8-5-6-9-15(14)19/h5-6,8-9H,3-4,7,10-13H2,1-2H3,(H,17,18)
InChIKeyGLBQQOYMUNSRPJ-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.44
Rot. Bonds6

About N'-(3-ethoxypropyl)-N-ethyl-2,3-dihydroindole-1-carboximidamide

N'-(3-ethoxypropyl)-N-ethyl-2,3-dihydroindole-1-carboximidamide (PubChem CID 110984024) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N'-(3-ethoxypropyl)-N-ethyl-2,3-dihydroindole-1-carboximidamide.

Molecular Properties

Compound NameN'-(3-ethoxypropyl)-N-ethyl-2,3-dihydroindole-1-carboximidamide
PubChem CID110984024
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN'-(3-ethoxypropyl)-N-ethyl-2,3-dihydroindole-1-carboximidamide
SMILESCCN/C(=N\CCCOCC)N1CCc2ccccc21
InChIInChI=1S/C16H25N3O/c1-3-17-16(18-11-7-13-20-4-2)19-12-10-14-8-5-6-9-15(14)19/h5-6,8-9H,3-4,7,10-13H2,1-2H3,(H,17,18)
InChIKeyGLBQQOYMUNSRPJ-UHFFFAOYSA-N
XLogP2.44
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]-2,3-dihydroindole-1-carboximidamide
CID 110983624
N'-[2-(2-butoxyethoxy)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide
CID 111495414
N-ethyl-N'-(3-propan-2-yloxypropyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984429
N'-[3-(diethylamino)propyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984305
N'-[4-(diethylamino)butyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide
CID 110983746
N-ethyl-N'-[3-(4-hydroxypiperidin-1-yl)propyl]-2,3-dihydroindole-1-carboximidamide
CID 110983612
N-ethyl-N'-[4-[methyl(propan-2-yl)amino]butyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110985189
N'-(3-ethoxypropyl)-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 111495265
N-ethyl-N'-[3-(methanesulfonamido)propyl]-2,3-dihydroindole-1-carboximidamide
CID 110983998
N-ethyl-N'-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984201
N'-[2-(diethylamino)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984245
tert-butyl N-[3-[[2,3-dihydroindol-1-yl(ethylamino)methylidene]amino]propyl]carbamate
CID 110985252

Frequently Asked Questions

What is the IUPAC name of N'-(3-ethoxypropyl)-N-ethyl-2,3-dihydroindole-1-carboximidamide?
The IUPAC name of N'-(3-ethoxypropyl)-N-ethyl-2,3-dihydroindole-1-carboximidamide (CID 110984024) is N'-(3-ethoxypropyl)-N-ethyl-2,3-dihydroindole-1-carboximidamide.
What is the SMILES notation for N'-(3-ethoxypropyl)-N-ethyl-2,3-dihydroindole-1-carboximidamide?
The canonical SMILES for N'-(3-ethoxypropyl)-N-ethyl-2,3-dihydroindole-1-carboximidamide is CCN/C(=N\CCCOCC)N1CCc2ccccc21.
What is the InChIKey of N'-(3-ethoxypropyl)-N-ethyl-2,3-dihydroindole-1-carboximidamide?
The InChIKey is GLBQQOYMUNSRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-17-16(18-11-7-13-20-4-2)19-12-10-14-8-5-6-9-15(14)19/h5-6,8-9H,3-4,7,10-13H2,1-2H3,(H,17,18).
What are the key properties of N'-(3-ethoxypropyl)-N-ethyl-2,3-dihydroindole-1-carboximidamide?
N'-(3-ethoxypropyl)-N-ethyl-2,3-dihydroindole-1-carboximidamide has a molecular weight of 275.40 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-ethoxypropyl)-N-ethyl-2,3-dihydroindole-1-carboximidamide is sourced from PubChem (CID 110984024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).