[3-(3-aminopropyl)-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate;hydrochloride

C15H24ClN3O2 — CID 90656346

IUPAC[3-(3-aminopropyl)-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate;hydrochloride
SMILESCCN(C)C(=O)Oc1cccc2c1C(CCCN)CN2.Cl
InChIInChI=1S/C15H23N3O2.ClH/c1-3-18(2)15(19)20-13-8-4-7-12-14(13)11(10-17-12)6-5-9-16;/h4,7-8,11,17H,3,5-6,9-10,16H2,1-2H3;1H
InChIKeyIXBWENUTJICSJU-UHFFFAOYSA-N
MW313.83 g/mol
LogP2.81
Rot. Bonds5

About [3-(3-aminopropyl)-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate;hydrochloride

[3-(3-aminopropyl)-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate;hydrochloride (PubChem CID 90656346) has the molecular formula C15H24ClN3O2 and a molecular weight of 313.83 g/mol. Its IUPAC name is [3-(3-aminopropyl)-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate;hydrochloride.

Molecular Properties

Compound Name[3-(3-aminopropyl)-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate;hydrochloride
PubChem CID90656346
Molecular FormulaC15H24ClN3O2
Molecular Weight313.83 g/mol
Exact Mass313.16
IUPAC Name[3-(3-aminopropyl)-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate;hydrochloride
SMILESCCN(C)C(=O)Oc1cccc2c1C(CCCN)CN2.Cl
InChIInChI=1S/C15H23N3O2.ClH/c1-3-18(2)15(19)20-13-8-4-7-12-14(13)11(10-17-12)6-5-9-16;/h4,7-8,11,17H,3,5-6,9-10,16H2,1-2H3;1H
InChIKeyIXBWENUTJICSJU-UHFFFAOYSA-N
XLogP2.81
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(3-aminopropyl)-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate;hydrochloride?
The IUPAC name of [3-(3-aminopropyl)-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate;hydrochloride (CID 90656346) is [3-(3-aminopropyl)-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate;hydrochloride.
What is the SMILES notation for [3-(3-aminopropyl)-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate;hydrochloride?
The canonical SMILES for [3-(3-aminopropyl)-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate;hydrochloride is CCN(C)C(=O)Oc1cccc2c1C(CCCN)CN2.Cl.
What is the InChIKey of [3-(3-aminopropyl)-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate;hydrochloride?
The InChIKey is IXBWENUTJICSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2.ClH/c1-3-18(2)15(19)20-13-8-4-7-12-14(13)11(10-17-12)6-5-9-16;/h4,7-8,11,17H,3,5-6,9-10,16H2,1-2H3;1H.
What are the key properties of [3-(3-aminopropyl)-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate;hydrochloride?
[3-(3-aminopropyl)-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate;hydrochloride has a molecular weight of 313.83 g/mol, XLogP of 2.81, 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-4-yl] N-ethyl-N-methylcarbamate;hydrochloride is sourced from PubChem (CID 90656346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).