2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine

C17H24N2O2 — CID 115559534

IUPAC2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine
SMILESNC(CN1CC2CCCC2C1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H24N2O2/c18-15(11-19-9-13-2-1-3-14(13)10-19)12-4-5-16-17(8-12)21-7-6-20-16/h4-5,8,13-15H,1-3,6-7,9-11,18H2
InChIKeyLUTSEOHXOZMCDP-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.19
Rot. Bonds3

About 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine

2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine (PubChem CID 115559534) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine.

Molecular Properties

Compound Name2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine
PubChem CID115559534
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine
SMILESNC(CN1CC2CCCC2C1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H24N2O2/c18-15(11-19-9-13-2-1-3-14(13)10-19)12-4-5-16-17(8-12)21-7-6-20-16/h4-5,8,13-15H,1-3,6-7,9-11,18H2
InChIKeyLUTSEOHXOZMCDP-UHFFFAOYSA-N
XLogP2.19
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine with MolForge

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Related Compounds

1-[2-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63163944
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-morpholin-4-ylethanamine
CID 16788978
N'-cyclopentyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-methylethane-1,2-diamine
CID 43267145
2-(cyclopropylmethoxy)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamine
CID 43211712
(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethane-1,2-diamine;hydrochloride
CID 171226605
3-cyclopentyl-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-amine
CID 43197405
1-(1,3-benzodioxol-5-yl)-2-(4-cyclopropylpiperazin-1-yl)ethanamine
CID 61441471
(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pentane-1,5-diamine
CID 171226610
(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-diamine;hydrochloride
CID 171207035
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxypropan-1-amine
CID 62790727
(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethane-1,2-diamine
CID 66516964
(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-1-amine
CID 28979698

Frequently Asked Questions

What is the IUPAC name of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine?
The IUPAC name of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine (CID 115559534) is 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine.
What is the SMILES notation for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine?
The canonical SMILES for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine is NC(CN1CC2CCCC2C1)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine?
The InChIKey is LUTSEOHXOZMCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c18-15(11-19-9-13-2-1-3-14(13)10-19)12-4-5-16-17(8-12)21-7-6-20-16/h4-5,8,13-15H,1-3,6-7,9-11,18H2.
What are the key properties of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine?
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine has a molecular weight of 288.39 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine is sourced from PubChem (CID 115559534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).