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

C17H26N2 — CID 115559669

IUPAC2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-methyl-1-(3-methylphenyl)ethanamine
SMILESCNC(CN1CC2CCCC2C1)c1cccc(C)c1
InChIInChI=1S/C17H26N2/c1-13-5-3-6-14(9-13)17(18-2)12-19-10-15-7-4-8-16(15)11-19/h3,5-6,9,15-18H,4,7-8,10-12H2,1-2H3
InChIKeyYRONWGJQHBFWLX-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.99
Rot. Bonds4

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

2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-methyl-1-(3-methylphenyl)ethanamine (PubChem CID 115559669) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-methyl-1-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-methyl-1-(3-methylphenyl)ethanamine
PubChem CID115559669
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-methyl-1-(3-methylphenyl)ethanamine
SMILESCNC(CN1CC2CCCC2C1)c1cccc(C)c1
InChIInChI=1S/C17H26N2/c1-13-5-3-6-14(9-13)17(18-2)12-19-10-15-7-4-8-16(15)11-19/h3,5-6,9,15-18H,4,7-8,10-12H2,1-2H3
InChIKeyYRONWGJQHBFWLX-UHFFFAOYSA-N
XLogP2.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(3-methylphenyl)-2-pyrrolidin-1-ylethanamine
CID 20735110
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-N-methyl-1-(3-methylphenyl)ethanamine
CID 63149736
2-(3,4-dimethylpiperazin-1-yl)-N-methyl-1-(3-methylphenyl)ethanamine
CID 55215794
N-methyl-1-(3-methylphenyl)-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethanamine
CID 102743532
tert-butyl-hydroxy-dimethylsilane;(1S)-N-methyl-1-(3-methylphenyl)-2-pyrrolidin-1-ylethanamine;sulfane
CID 161283631
2-cycloheptyl-N-methyl-1-(3-methylphenyl)ethanamine
CID 115789919
N-methyl-1-(3-methylphenyl)-2-(2-propylpiperidin-1-yl)ethanamine
CID 83052318
1-(3-cyclobutylphenyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 114602821
2-(3,4-dimethylpyrrolidin-1-yl)-N-methyl-1-(4-methylphenyl)ethanamine
CID 79188424
N'-cyclopropyl-N-methyl-N'-(3-methylbutyl)-1-(3-methylphenyl)propane-1,3-diamine
CID 78944157
N-methyl-1-(3-methylphenyl)hex-4-yn-1-amine
CID 104804760
N-methyl-1-(3-methylphenyl)-3-phenylpropan-1-amine
CID 60818529

Frequently Asked Questions

What is the IUPAC name of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-methyl-1-(3-methylphenyl)ethanamine?
The IUPAC name of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-methyl-1-(3-methylphenyl)ethanamine (CID 115559669) is 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-methyl-1-(3-methylphenyl)ethanamine.
What is the SMILES notation for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-methyl-1-(3-methylphenyl)ethanamine?
The canonical SMILES for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-methyl-1-(3-methylphenyl)ethanamine is CNC(CN1CC2CCCC2C1)c1cccc(C)c1.
What is the InChIKey of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-methyl-1-(3-methylphenyl)ethanamine?
The InChIKey is YRONWGJQHBFWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-13-5-3-6-14(9-13)17(18-2)12-19-10-15-7-4-8-16(15)11-19/h3,5-6,9,15-18H,4,7-8,10-12H2,1-2H3.
What are the key properties of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-methyl-1-(3-methylphenyl)ethanamine?
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-methyl-1-(3-methylphenyl)ethanamine has a molecular weight of 258.41 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 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)-N-methyl-1-(3-methylphenyl)ethanamine is sourced from PubChem (CID 115559669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).