[3-(3-aminopropyl)-2,3-dihydro-1H-indol-6-yl] N-ethyl-N-methylcarbamate;dihydrochloride

C15H25Cl2N3O2 — CID 86294805

IUPAC[3-(3-aminopropyl)-2,3-dihydro-1H-indol-6-yl] N-ethyl-N-methylcarbamate;dihydrochloride
SMILESCCN(C)C(=O)Oc1ccc2c(c1)NCC2CCCN.Cl.Cl
InChIInChI=1S/C15H23N3O2.2ClH/c1-3-18(2)15(19)20-12-6-7-13-11(5-4-8-16)10-17-14(13)9-12;;/h6-7,9,11,17H,3-5,8,10,16H2,1-2H3;2*1H
InChIKeyPFNMEVGHSIWBMK-UHFFFAOYSA-N
MW350.29 g/mol
LogP3.23
Rot. Bonds5

About [3-(3-aminopropyl)-2,3-dihydro-1H-indol-6-yl] N-ethyl-N-methylcarbamate;dihydrochloride

[3-(3-aminopropyl)-2,3-dihydro-1H-indol-6-yl] N-ethyl-N-methylcarbamate;dihydrochloride (PubChem CID 86294805) has the molecular formula C15H25Cl2N3O2 and a molecular weight of 350.29 g/mol. Its IUPAC name is [3-(3-aminopropyl)-2,3-dihydro-1H-indol-6-yl] N-ethyl-N-methylcarbamate;dihydrochloride.

Molecular Properties

Compound Name[3-(3-aminopropyl)-2,3-dihydro-1H-indol-6-yl] N-ethyl-N-methylcarbamate;dihydrochloride
PubChem CID86294805
Molecular FormulaC15H25Cl2N3O2
Molecular Weight350.29 g/mol
Exact Mass349.13
IUPAC Name[3-(3-aminopropyl)-2,3-dihydro-1H-indol-6-yl] N-ethyl-N-methylcarbamate;dihydrochloride
SMILESCCN(C)C(=O)Oc1ccc2c(c1)NCC2CCCN.Cl.Cl
InChIInChI=1S/C15H23N3O2.2ClH/c1-3-18(2)15(19)20-12-6-7-13-11(5-4-8-16)10-17-14(13)9-12;;/h6-7,9,11,17H,3-5,8,10,16H2,1-2H3;2*1H
InChIKeyPFNMEVGHSIWBMK-UHFFFAOYSA-N
XLogP3.23
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.29
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2-aminoethyl)-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate
CID 71450003
[3-[2-[ethyl(methyl)amino]ethyl]-2,3-dihydro-1H-indol-6-yl] dihydrogen phosphate
CID 175491938
3-[4-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoic acid;hydrochloride
CID 71459006
(3S)-3-hexadecyl-2,3-dihydro-1H-indole-6-carboxylic acid;hydrochloride
CID 70486811
methyl 3-undecyl-2,3-dihydro-1H-indole-6-carboxylate
CID 12799984
[(3R)-3-hydroxy-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate
CID 68829372
N,N-dimethyl-2-[6-(trideuteriomethoxy)-2,3-dihydro-1H-indol-3-yl]acetamide
CID 168931102
[6-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-inden-1-yl]-methylazanium chloride
CID 11011533
[(3S,4S)-4-(dimethylamino)-3-methyl-3,4-dihydro-1H-isochromen-7-yl] N-ethyl-N-methylcarbamate
CID 134223053
[(3S,4S)-4-amino-3-methyl-3,4-dihydro-1H-isochromen-6-yl] N-ethyl-N-methylcarbamate
CID 134221260
[4-acetyl-3-[ethyl(methyl)carbamoyl]oxyphenyl] N-ethyl-N-methylcarbamate
CID 163320558
2-(5-ethoxy-2,3-dihydro-1H-indol-3-yl)ethanamine
CID 82276688

Frequently Asked Questions

What is the IUPAC name of [3-(3-aminopropyl)-2,3-dihydro-1H-indol-6-yl] N-ethyl-N-methylcarbamate;dihydrochloride?
The IUPAC name of [3-(3-aminopropyl)-2,3-dihydro-1H-indol-6-yl] N-ethyl-N-methylcarbamate;dihydrochloride (CID 86294805) is [3-(3-aminopropyl)-2,3-dihydro-1H-indol-6-yl] N-ethyl-N-methylcarbamate;dihydrochloride.
What is the SMILES notation for [3-(3-aminopropyl)-2,3-dihydro-1H-indol-6-yl] N-ethyl-N-methylcarbamate;dihydrochloride?
The canonical SMILES for [3-(3-aminopropyl)-2,3-dihydro-1H-indol-6-yl] N-ethyl-N-methylcarbamate;dihydrochloride is CCN(C)C(=O)Oc1ccc2c(c1)NCC2CCCN.Cl.Cl.
What is the InChIKey of [3-(3-aminopropyl)-2,3-dihydro-1H-indol-6-yl] N-ethyl-N-methylcarbamate;dihydrochloride?
The InChIKey is PFNMEVGHSIWBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2.2ClH/c1-3-18(2)15(19)20-12-6-7-13-11(5-4-8-16)10-17-14(13)9-12;;/h6-7,9,11,17H,3-5,8,10,16H2,1-2H3;2*1H.
What are the key properties of [3-(3-aminopropyl)-2,3-dihydro-1H-indol-6-yl] N-ethyl-N-methylcarbamate;dihydrochloride?
[3-(3-aminopropyl)-2,3-dihydro-1H-indol-6-yl] N-ethyl-N-methylcarbamate;dihydrochloride has a molecular weight of 350.29 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-aminopropyl)-2,3-dihydro-1H-indol-6-yl] N-ethyl-N-methylcarbamate;dihydrochloride is sourced from PubChem (CID 86294805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).