N'-[2-(2-butoxyethoxy)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide

C19H31N3O2 — CID 111495414

IUPACN'-[2-(2-butoxyethoxy)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide
SMILESCCCCOCCOCC/N=C(\NCC)N1CCc2ccccc21
InChIInChI=1S/C19H31N3O2/c1-3-5-13-23-15-16-24-14-11-21-19(20-4-2)22-12-10-17-8-6-7-9-18(17)22/h6-9H,3-5,10-16H2,1-2H3,(H,20,21)
InChIKeyNNOSOWHAZBOYON-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.85
Rot. Bonds10

About N'-[2-(2-butoxyethoxy)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide

N'-[2-(2-butoxyethoxy)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide (PubChem CID 111495414) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is N'-[2-(2-butoxyethoxy)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(2-butoxyethoxy)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide
PubChem CID111495414
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC NameN'-[2-(2-butoxyethoxy)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide
SMILESCCCCOCCOCC/N=C(\NCC)N1CCc2ccccc21
InChIInChI=1S/C19H31N3O2/c1-3-5-13-23-15-16-24-14-11-21-19(20-4-2)22-12-10-17-8-6-7-9-18(17)22/h6-9H,3-5,10-16H2,1-2H3,(H,20,21)
InChIKeyNNOSOWHAZBOYON-UHFFFAOYSA-N
XLogP2.85
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'-(3-ethoxypropyl)-N-ethyl-2,3-dihydroindole-1-carboximidamide
CID 110984024
N-ethyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]-2,3-dihydroindole-1-carboximidamide
CID 110983624
N-ethyl-N'-(3-propan-2-yloxypropyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984429
N'-(cyclopropylmethyl)-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110985097
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'-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984201
N-ethyl-N'-[3-(4-hydroxypiperidin-1-yl)propyl]-2,3-dihydroindole-1-carboximidamide
CID 110983612
N'-[2-(diethylamino)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984245
N-ethyl-N'-[4-[methyl(propan-2-yl)amino]butyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110985189
N-ethyl-N'-(2-methylsulfonylethyl)-2,3-dihydroindole-1-carboximidamide
CID 110983994
N-ethyl-N'-[(1-methylpiperidin-4-yl)methyl]-2,3-dihydroindole-1-carboximidamide
CID 110983830

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-butoxyethoxy)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide?
The IUPAC name of N'-[2-(2-butoxyethoxy)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide (CID 111495414) is N'-[2-(2-butoxyethoxy)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide.
What is the SMILES notation for N'-[2-(2-butoxyethoxy)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide?
The canonical SMILES for N'-[2-(2-butoxyethoxy)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide is CCCCOCCOCC/N=C(\NCC)N1CCc2ccccc21.
What is the InChIKey of N'-[2-(2-butoxyethoxy)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide?
The InChIKey is NNOSOWHAZBOYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-3-5-13-23-15-16-24-14-11-21-19(20-4-2)22-12-10-17-8-6-7-9-18(17)22/h6-9H,3-5,10-16H2,1-2H3,(H,20,21).
What are the key properties of N'-[2-(2-butoxyethoxy)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide?
N'-[2-(2-butoxyethoxy)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide has a molecular weight of 333.48 g/mol, XLogP of 2.85, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-butoxyethoxy)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide is sourced from PubChem (CID 111495414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).