N-[2-(2,3-dihydroindol-1-yl)ethyl]-N-methyl-1-(propyl-λ3-iodanylidene)ethanamine

C16H25IN2 — CID 143815399

IUPACN-[2-(2,3-dihydroindol-1-yl)ethyl]-N-methyl-1-(propyl-λ3-iodanylidene)ethanamine
SMILESCCC/I=C(\C)N(C)CCN1CCc2ccccc21
InChIInChI=1S/C16H25IN2/c1-4-10-17-14(2)18(3)12-13-19-11-9-15-7-5-6-8-16(15)19/h5-8H,4,9-13H2,1-3H3
InChIKeyHIMZPQULIGUPHZ-UHFFFAOYSA-N
MW372.29 g/mol
LogP3.51
Rot. Bonds6

About N-[2-(2,3-dihydroindol-1-yl)ethyl]-N-methyl-1-(propyl-λ3-iodanylidene)ethanamine

N-[2-(2,3-dihydroindol-1-yl)ethyl]-N-methyl-1-(propyl-λ3-iodanylidene)ethanamine (PubChem CID 143815399) has the molecular formula C16H25IN2 and a molecular weight of 372.29 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)ethyl]-N-methyl-1-(propyl-λ3-iodanylidene)ethanamine.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)ethyl]-N-methyl-1-(propyl-λ3-iodanylidene)ethanamine
PubChem CID143815399
Molecular FormulaC16H25IN2
Molecular Weight372.29 g/mol
Exact Mass372.11
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)ethyl]-N-methyl-1-(propyl-λ3-iodanylidene)ethanamine
SMILESCCC/I=C(\C)N(C)CCN1CCc2ccccc21
InChIInChI=1S/C16H25IN2/c1-4-10-17-14(2)18(3)12-13-19-11-9-15-7-5-6-8-16(15)19/h5-8H,4,9-13H2,1-3H3
InChIKeyHIMZPQULIGUPHZ-UHFFFAOYSA-N
XLogP3.51
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.29
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-butyl-2,3-dihydroindole
CID 4167209
N-[2-(2,3-dihydroindol-1-yl)ethyl]-N-methylcyclohexanamine
CID 54806175
2-(2,3-dihydroindol-1-yl)ethanol;hydrochloride
CID 169005265
4-(2,3-dihydroindol-1-yl)butan-2-amine
CID 60748123
1-(2-iodoethyl)-2,3-dihydroindole
CID 131082836
2-(2,3-dihydroindol-1-yl)ethanamine
CID 1072384
2-(2,3-dihydroindol-1-yl)ethyl acetate
CID 174450799
1-[2-(azepan-1-yl)ethyl]-2,3-dihydroindole
CID 54806650
1-(3-methylbutyl)-2,3-dihydroindole
CID 143815180
1-(2-methylprop-2-enyl)-2,3-dihydroindole
CID 15723561
N-butan-2-yl-3-(2,3-dihydroindol-1-yl)propanamide
CID 109012970
N-butyl-2-(3,4-dihydro-2H-quinolin-1-yl)-N-methylacetamide
CID 109006191

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)ethyl]-N-methyl-1-(propyl-λ3-iodanylidene)ethanamine?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)ethyl]-N-methyl-1-(propyl-λ3-iodanylidene)ethanamine (CID 143815399) is N-[2-(2,3-dihydroindol-1-yl)ethyl]-N-methyl-1-(propyl-λ3-iodanylidene)ethanamine.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)ethyl]-N-methyl-1-(propyl-λ3-iodanylidene)ethanamine?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)ethyl]-N-methyl-1-(propyl-λ3-iodanylidene)ethanamine is CCC/I=C(\C)N(C)CCN1CCc2ccccc21.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)ethyl]-N-methyl-1-(propyl-λ3-iodanylidene)ethanamine?
The InChIKey is HIMZPQULIGUPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25IN2/c1-4-10-17-14(2)18(3)12-13-19-11-9-15-7-5-6-8-16(15)19/h5-8H,4,9-13H2,1-3H3.
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)ethyl]-N-methyl-1-(propyl-λ3-iodanylidene)ethanamine?
N-[2-(2,3-dihydroindol-1-yl)ethyl]-N-methyl-1-(propyl-λ3-iodanylidene)ethanamine has a molecular weight of 372.29 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-yl)ethyl]-N-methyl-1-(propyl-λ3-iodanylidene)ethanamine is sourced from PubChem (CID 143815399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).