2-methyl-5-naphthalen-1-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

C18H21N — CID 175349464

IUPAC2-methyl-5-naphthalen-1-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESCN1CC2CC(c3cccc4ccccc34)CC2C1
InChIInChI=1S/C18H21N/c1-19-11-15-9-14(10-16(15)12-19)18-8-4-6-13-5-2-3-7-17(13)18/h2-8,14-16H,9-12H2,1H3
InChIKeyIJOLEGMQVSKXMD-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.89
Rot. Bonds1

About 2-methyl-5-naphthalen-1-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

2-methyl-5-naphthalen-1-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (PubChem CID 175349464) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-methyl-5-naphthalen-1-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.

Molecular Properties

Compound Name2-methyl-5-naphthalen-1-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
PubChem CID175349464
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name2-methyl-5-naphthalen-1-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESCN1CC2CC(c3cccc4ccccc34)CC2C1
InChIInChI=1S/C18H21N/c1-19-11-15-9-14(10-16(15)12-19)18-8-4-6-13-5-2-3-7-17(13)18/h2-8,14-16H,9-12H2,1H3
InChIKeyIJOLEGMQVSKXMD-UHFFFAOYSA-N
XLogP3.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-5-naphthalen-1-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;oxalic acid
CID 155345654
N-methyl-3-naphthalen-1-ylcyclohexan-1-amine
CID 59830952
2-naphthalen-1-ylcyclopropan-1-amine
CID 43810345
[(1S,5R)-8-methyl-3-naphthalen-1-yl-8-azabicyclo[3.2.1]octan-6-yl] benzoate
CID 175291789
3-(2-chlorophenyl)-1-methylazetidine
CID 167307075
3-amino-4-methyl-1H-1,2,4-triazole-5-thione;1-cyclopropylnaphthalene
CID 143981946
(3aS,6aR)-2-methyl-5-(2-phenylethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 118534999
1-[2-(2,2-dimethylcyclopropyl)phenyl]naphthalene
CID 175297840
3-methyl-2-naphthalen-1-yl-2H-azirine
CID 11217607
(4-methyl-2-naphthalen-1-ylcyclohexyl)methanamine
CID 81010085
(3R)-1-methyl-3-naphthalen-1-ylpiperazine-2,5-dione
CID 51893578
1-ethyl-4-pyridin-2-ylpiperazine;1-methyl-4-naphthalen-1-ylpiperidine
CID 153403451

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-naphthalen-1-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The IUPAC name of 2-methyl-5-naphthalen-1-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (CID 175349464) is 2-methyl-5-naphthalen-1-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.
What is the SMILES notation for 2-methyl-5-naphthalen-1-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The canonical SMILES for 2-methyl-5-naphthalen-1-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is CN1CC2CC(c3cccc4ccccc34)CC2C1.
What is the InChIKey of 2-methyl-5-naphthalen-1-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The InChIKey is IJOLEGMQVSKXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-19-11-15-9-14(10-16(15)12-19)18-8-4-6-13-5-2-3-7-17(13)18/h2-8,14-16H,9-12H2,1H3.
What are the key properties of 2-methyl-5-naphthalen-1-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
2-methyl-5-naphthalen-1-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole has a molecular weight of 251.37 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-naphthalen-1-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is sourced from PubChem (CID 175349464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).