2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine

C18H26N2O — CID 115559637

IUPAC2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)C(N)C(N1CC3CCCC3C1)CC2
InChIInChI=1S/C18H26N2O/c1-21-15-7-5-12-6-8-17(18(19)16(12)9-15)20-10-13-3-2-4-14(13)11-20/h5,7,9,13-14,17-18H,2-4,6,8,10-11,19H2,1H3
InChIKeyWCNQKUAUXXZMAD-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.74
Rot. Bonds2

About 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine

2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 115559637) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID115559637
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)C(N)C(N1CC3CCCC3C1)CC2
InChIInChI=1S/C18H26N2O/c1-21-15-7-5-12-6-8-17(18(19)16(12)9-15)20-10-13-3-2-4-14(13)11-20/h5,7,9,13-14,17-18H,2-4,6,8,10-11,19H2,1H3
InChIKeyWCNQKUAUXXZMAD-UHFFFAOYSA-N
XLogP2.74
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine with MolForge

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Related Compounds

2-(3,5-dimethylpiperidin-1-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79230789
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115561358
7-methoxy-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79248446
2-(4,4-dimethylpiperidin-1-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79234485
7-methoxy-2-(4-methylazepan-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79234946
7-methoxy-2-(2-methylpyrrolidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79247673
2-(2,2-dimethylpyrrolidin-1-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79247674
2-(azepan-1-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43184261
(1R,2S)-2,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 66798065
7-methoxy-2-(3,4,5-trimethylpyrazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79234962
6-methoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 18627821
6-methoxy-1,2,3,4,4a,9,10,10a-octahydrophenanthrene
CID 134188965

Frequently Asked Questions

What is the IUPAC name of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine (CID 115559637) is 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine is COc1ccc2c(c1)C(N)C(N1CC3CCCC3C1)CC2.
What is the InChIKey of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is WCNQKUAUXXZMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-21-15-7-5-12-6-8-17(18(19)16(12)9-15)20-10-13-3-2-4-14(13)11-20/h5,7,9,13-14,17-18H,2-4,6,8,10-11,19H2,1H3.
What are the key properties of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 286.42 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 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)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 115559637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).