2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-naphthalen-1-ylethanamine

C19H24N2 — CID 115559288

IUPAC2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-naphthalen-1-ylethanamine
SMILESNCC(c1cccc2ccccc12)N1CC2CCCC2C1
InChIInChI=1S/C19H24N2/c20-11-19(21-12-15-7-3-8-16(15)13-21)18-10-4-6-14-5-1-2-9-17(14)18/h1-2,4-6,9-10,15-16,19H,3,7-8,11-13,20H2
InChIKeyOLXULCRDRBSFPO-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.57
Rot. Bonds3

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

2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-naphthalen-1-ylethanamine (PubChem CID 115559288) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-naphthalen-1-ylethanamine.

Molecular Properties

Compound Name2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-naphthalen-1-ylethanamine
PubChem CID115559288
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-naphthalen-1-ylethanamine
SMILESNCC(c1cccc2ccccc12)N1CC2CCCC2C1
InChIInChI=1S/C19H24N2/c20-11-19(21-12-15-7-3-8-16(15)13-21)18-10-4-6-14-5-1-2-9-17(14)18/h1-2,4-6,9-10,15-16,19H,3,7-8,11-13,20H2
InChIKeyOLXULCRDRBSFPO-UHFFFAOYSA-N
XLogP3.57
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-quinolin-8-ylethanamine
CID 115559387
2-(azepan-1-yl)-2-naphthalen-1-ylethanamine
CID 43180381
2-(3-methoxypiperidin-1-yl)-2-naphthalen-1-ylethanamine
CID 102965278
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine
CID 115559256
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 115559424
6-(1-naphthalen-1-ylethyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678358
2-(2,6-dimethylmorpholin-4-yl)-2-isoquinolin-4-ylethanamine
CID 104504039
(R)-cyclobutyl(naphthalen-1-yl)methanamine;hydrochloride
CID 171212042
N-cyclohexyl-N-methyl-1-naphthalen-1-ylethane-1,2-diamine
CID 43079199
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 115559395
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(4-propan-2-yloxyphenyl)ethanamine
CID 115559366
(1R,2R)-3-amino-1-cyclohexyl-2-naphthalen-1-ylpropan-1-ol
CID 69271499

Frequently Asked Questions

What is the IUPAC name of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-naphthalen-1-ylethanamine?
The IUPAC name of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-naphthalen-1-ylethanamine (CID 115559288) is 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-naphthalen-1-ylethanamine.
What is the SMILES notation for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-naphthalen-1-ylethanamine?
The canonical SMILES for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-naphthalen-1-ylethanamine is NCC(c1cccc2ccccc12)N1CC2CCCC2C1.
What is the InChIKey of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-naphthalen-1-ylethanamine?
The InChIKey is OLXULCRDRBSFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c20-11-19(21-12-15-7-3-8-16(15)13-21)18-10-4-6-14-5-1-2-9-17(14)18/h1-2,4-6,9-10,15-16,19H,3,7-8,11-13,20H2.
What are the key properties of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-naphthalen-1-ylethanamine?
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-naphthalen-1-ylethanamine has a molecular weight of 280.42 g/mol, XLogP of 3.57, 3 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)-2-naphthalen-1-ylethanamine is sourced from PubChem (CID 115559288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).