[1-(3-cyclopentylpropyl)-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indol-6-yl] N,N-dimethylcarbamate

C23H34N2O2 — CID 19021529

IUPAC[1-(3-cyclopentylpropyl)-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indol-6-yl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1cccc2c1CCC1NCC(CCCC3CCCC3)C21
InChIInChI=1S/C23H34N2O2/c1-25(2)23(26)27-21-12-6-11-19-18(21)13-14-20-22(19)17(15-24-20)10-5-9-16-7-3-4-8-16/h6,11-12,16-17,20,22,24H,3-5,7-10,13-15H2,1-2H3
InChIKeySOIFCKKJJHJLBQ-UHFFFAOYSA-N
MW370.54 g/mol
LogP4.73
Rot. Bonds5

About [1-(3-cyclopentylpropyl)-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indol-6-yl] N,N-dimethylcarbamate

[1-(3-cyclopentylpropyl)-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indol-6-yl] N,N-dimethylcarbamate (PubChem CID 19021529) has the molecular formula C23H34N2O2 and a molecular weight of 370.54 g/mol. Its IUPAC name is [1-(3-cyclopentylpropyl)-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indol-6-yl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[1-(3-cyclopentylpropyl)-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indol-6-yl] N,N-dimethylcarbamate
PubChem CID19021529
Molecular FormulaC23H34N2O2
Molecular Weight370.54 g/mol
Exact Mass370.26
IUPAC Name[1-(3-cyclopentylpropyl)-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indol-6-yl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1cccc2c1CCC1NCC(CCCC3CCCC3)C21
InChIInChI=1S/C23H34N2O2/c1-25(2)23(26)27-21-12-6-11-19-18(21)13-14-20-22(19)17(15-24-20)10-5-9-16-7-3-4-8-16/h6,11-12,16-17,20,22,24H,3-5,7-10,13-15H2,1-2H3
InChIKeySOIFCKKJJHJLBQ-UHFFFAOYSA-N
XLogP4.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(3-cyclohexylpropyl)-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-6-yl] N,N-dimethylcarbamate;hydrochloride
CID 19021451
(1-methyl-3-propyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-6-yl) N,N-dimethylcarbamate;hydrochloride
CID 67804379
[3-[5-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)pentyl]-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-6-yl] N,N-dimethylcarbamate;hydrochloride
CID 67853015
[3-(4-aminobutyl)-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-6-yl] N,N-dimethylcarbamate;hydrochloride
CID 67853082
[3-[5-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)pentyl]-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-6-yl] N,N-dimethylcarbamate
CID 67853016
[3-(2-piperidin-1-ylethyl)-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-6-yl] N,N-dimethylcarbamate
CID 19021465
[(3aR,9bS)-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indol-9-yl] N,N-dimethylcarbamate;hydrochloride
CID 67853027
[(3aR,9bS)-3-[5-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)pentyl]-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-6-yl] N,N-dimethylcarbamate;hydrochloride
CID 67780436
4-amino-3-(3-cyclopentylpropylamino)-N,N-dimethylbenzamide
CID 106007203
4-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N,N-dimethylbutanamide
CID 65454087
(3-amino-2,3-dihydro-1H-inden-4-yl) N,N-dimethylcarbamate;hydrochloride
CID 45265587
1-cyclopentyl-5-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 115058091

Frequently Asked Questions

What is the IUPAC name of [1-(3-cyclopentylpropyl)-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indol-6-yl] N,N-dimethylcarbamate?
The IUPAC name of [1-(3-cyclopentylpropyl)-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indol-6-yl] N,N-dimethylcarbamate (CID 19021529) is [1-(3-cyclopentylpropyl)-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indol-6-yl] N,N-dimethylcarbamate.
What is the SMILES notation for [1-(3-cyclopentylpropyl)-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indol-6-yl] N,N-dimethylcarbamate?
The canonical SMILES for [1-(3-cyclopentylpropyl)-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indol-6-yl] N,N-dimethylcarbamate is CN(C)C(=O)Oc1cccc2c1CCC1NCC(CCCC3CCCC3)C21.
What is the InChIKey of [1-(3-cyclopentylpropyl)-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indol-6-yl] N,N-dimethylcarbamate?
The InChIKey is SOIFCKKJJHJLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O2/c1-25(2)23(26)27-21-12-6-11-19-18(21)13-14-20-22(19)17(15-24-20)10-5-9-16-7-3-4-8-16/h6,11-12,16-17,20,22,24H,3-5,7-10,13-15H2,1-2H3.
What are the key properties of [1-(3-cyclopentylpropyl)-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indol-6-yl] N,N-dimethylcarbamate?
[1-(3-cyclopentylpropyl)-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indol-6-yl] N,N-dimethylcarbamate has a molecular weight of 370.54 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-cyclopentylpropyl)-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indol-6-yl] N,N-dimethylcarbamate is sourced from PubChem (CID 19021529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).