[3-(propylamino)-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate

C16H24N2O2 — CID 11109775

IUPAC[3-(propylamino)-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate
SMILESCCCNC1CCc2ccc(OC(=O)N(C)CC)cc21
InChIInChI=1S/C16H24N2O2/c1-4-10-17-15-9-7-12-6-8-13(11-14(12)15)20-16(19)18(3)5-2/h6,8,11,15,17H,4-5,7,9-10H2,1-3H3
InChIKeyQHTSCZJBKOYQDW-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.12
Rot. Bonds5

About [3-(propylamino)-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate

[3-(propylamino)-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate (PubChem CID 11109775) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is [3-(propylamino)-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate.

Molecular Properties

Compound Name[3-(propylamino)-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate
PubChem CID11109775
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name[3-(propylamino)-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate
SMILESCCCNC1CCc2ccc(OC(=O)N(C)CC)cc21
InChIInChI=1S/C16H24N2O2/c1-4-10-17-15-9-7-12-6-8-13(11-14(12)15)20-16(19)18(3)5-2/h6,8,11,15,17H,4-5,7,9-10H2,1-3H3
InChIKeyQHTSCZJBKOYQDW-UHFFFAOYSA-N
XLogP3.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Rivastigmine
CID 77991
Ladostigil
CID 208907
3-[1-(Dimethylamino)ethyl]phenyl ethyl(methyl)carbamate
CID 5077
[3-[1-(dimethylamino)ethyl]phenyl] N,N-dimethylcarbamate
CID 23645310
Phenol, 3-(1-(dimethylamino)ethyl)-, 1-(N-methylcarbamate)
CID 46093
(3R)-3-[methyl(prop-2-yn-1-yl)amino]-2,3-dihydro-1H-inden-5-yl N-ethyl-N-methylcarbamate
CID 9882343
3-amino-2,3-dihydro-1H-inden-5-yl N,N-dimethylcarbamate
CID 10934114
1-[methyl(prop-2-yn-1-yl)amino]-2,3-dihydro-1H-inden-4-yl N-ethyl-N-methylcarbamate
CID 11727038
1-Ethyl-1,2,3,3a,8,8a-hexahydroindeno(2,1-b)pyrrol-5-yl hydrogen heptylcarbonimidate
CID 3072029
1-Ethyl-1,2,3,3a,8,8a-hexahydroindeno(2,1-b)pyrrol-5-yl hydrogen hexylcarbonimidate
CID 3072030
2-Ethyl-5-methyl-2,3,4,5-tetrahydro-1H-1,5-methano-2-benzazepin-7-yl hydrogen hexylcarbonimidate
CID 3074344
1-(dimethylamino)-2,3-dihydro-1H-inden-4-yl N,N-dimethylcarbamate
CID 10859051

Frequently Asked Questions

What is the IUPAC name of [3-(propylamino)-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate?
The IUPAC name of [3-(propylamino)-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate (CID 11109775) is [3-(propylamino)-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate.
What is the SMILES notation for [3-(propylamino)-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate?
The canonical SMILES for [3-(propylamino)-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate is CCCNC1CCc2ccc(OC(=O)N(C)CC)cc21.
What is the InChIKey of [3-(propylamino)-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate?
The InChIKey is QHTSCZJBKOYQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-10-17-15-9-7-12-6-8-13(11-14(12)15)20-16(19)18(3)5-2/h6,8,11,15,17H,4-5,7,9-10H2,1-3H3.
What are the key properties of [3-(propylamino)-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate?
[3-(propylamino)-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate has a molecular weight of 276.38 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(propylamino)-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate is sourced from PubChem (CID 11109775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).