2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)phenyl]ethanamine

C16H24N2 — CID 65322647

IUPAC2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)phenyl]ethanamine
SMILESNCCc1ccccc1N1CCCC2CCCC21
InChIInChI=1S/C16H24N2/c17-11-10-14-5-1-2-8-15(14)18-12-4-7-13-6-3-9-16(13)18/h1-2,5,8,13,16H,3-4,6-7,9-12,17H2
InChIKeyBJHYKYWNNISZAX-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.96
Rot. Bonds3

About 2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)phenyl]ethanamine

2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)phenyl]ethanamine (PubChem CID 65322647) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)phenyl]ethanamine
PubChem CID65322647
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)phenyl]ethanamine
SMILESNCCc1ccccc1N1CCCC2CCCC21
InChIInChI=1S/C16H24N2/c17-11-10-14-5-1-2-8-15(14)18-12-4-7-13-6-3-9-16(13)18/h1-2,5,8,13,16H,3-4,6-7,9-12,17H2
InChIKeyBJHYKYWNNISZAX-UHFFFAOYSA-N
XLogP2.96
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)phenyl]ethanamine with MolForge

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Related Compounds

1-[2-(chloromethyl)phenyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65320115
2-[2-(2-ethylpyrrolidin-1-yl)phenyl]ethanamine
CID 63784557
2-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-chlorophenyl]ethanamine
CID 63782406
N-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)phenyl]methyl]propan-1-amine
CID 43628414
[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methylphenyl]methanamine
CID 114016660
1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)phenyl]propan-1-amine
CID 112678184
[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-chlorophenyl]methanamine
CID 43628404
[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-bromophenyl]methanamine
CID 102725431
[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-pyridinyl]methanamine
CID 81247229
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]benzenecarbothioamide
CID 102726420
2-[2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]phenyl]ethanamine
CID 81200394
2-[2-(4-methylsulfanylazepan-1-yl)phenyl]ethanamine
CID 114238558

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)phenyl]ethanamine?
The IUPAC name of 2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)phenyl]ethanamine (CID 65322647) is 2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)phenyl]ethanamine?
The canonical SMILES for 2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)phenyl]ethanamine is NCCc1ccccc1N1CCCC2CCCC21.
What is the InChIKey of 2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)phenyl]ethanamine?
The InChIKey is BJHYKYWNNISZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c17-11-10-14-5-1-2-8-15(14)18-12-4-7-13-6-3-9-16(13)18/h1-2,5,8,13,16H,3-4,6-7,9-12,17H2.
What are the key properties of 2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)phenyl]ethanamine?
2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)phenyl]ethanamine has a molecular weight of 244.38 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 65322647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).