[(1R,3S)-1-amino-3-[(6S)-6-(2-pyridin-2-ylethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol

C23H30N2O — CID 118877296

IUPAC[(1R,3S)-1-amino-3-[(6S)-6-(2-pyridin-2-ylethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
SMILESN[C@]1(CO)CC[C@H](c2ccc3c(c2)CC[C@@H](CCc2ccccn2)C3)C1
InChIInChI=1S/C23H30N2O/c24-23(16-26)11-10-21(15-23)20-8-7-18-13-17(4-6-19(18)14-20)5-9-22-3-1-2-12-25-22/h1-3,7-8,12,14,17,21,26H,4-6,9-11,13,15-16,24H2/t17-,21-,23+/m0/s1
InChIKeyRTQPDTSQQKMGFJ-JWNTYJGQSA-N
MW350.51 g/mol
LogP3.78
Rot. Bonds5

About [(1R,3S)-1-amino-3-[(6S)-6-(2-pyridin-2-ylethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol

[(1R,3S)-1-amino-3-[(6S)-6-(2-pyridin-2-ylethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol (PubChem CID 118877296) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is [(1R,3S)-1-amino-3-[(6S)-6-(2-pyridin-2-ylethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol.

Molecular Properties

Compound Name[(1R,3S)-1-amino-3-[(6S)-6-(2-pyridin-2-ylethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
PubChem CID118877296
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC Name[(1R,3S)-1-amino-3-[(6S)-6-(2-pyridin-2-ylethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
SMILESN[C@]1(CO)CC[C@H](c2ccc3c(c2)CC[C@@H](CCc2ccccn2)C3)C1
InChIInChI=1S/C23H30N2O/c24-23(16-26)11-10-21(15-23)20-8-7-18-13-17(4-6-19(18)14-20)5-9-22-3-1-2-12-25-22/h1-3,7-8,12,14,17,21,26H,4-6,9-11,13,15-16,24H2/t17-,21-,23+/m0/s1
InChIKeyRTQPDTSQQKMGFJ-JWNTYJGQSA-N
XLogP3.78
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R,3S)-1-amino-3-[(6S)-6-[2-(3-methoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
CID 118877404
[(1R,3S)-1-amino-3-[(6R)-6-[2-(2-ethenoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
CID 147859136
[(1R,3S)-1-amino-3-[6-(3-ethoxypropyl)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
CID 118877246
[(1R,3S)-1-amino-3-[6-[(E)-hex-3-enyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
CID 118877304
[(1R,3S)-1-amino-3-[6-[2-(3-fluoro-5-methoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
CID 175059938
[(1R,3R)-1-amino-3-[(6S)-6-(5-methoxypentyl)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
CID 118877371
[(1R,3S)-1-amino-3-[(6S)-6-(2-pyridin-3-ylethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methyl dihydrogen phosphate
CID 138106758
[(1R,3S)-1-amino-3-[6-[(3,4-dimethoxyphenoxy)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
CID 175065518
[(1R,3S)-1-amino-3-[6-[(2,3-difluoro-4-methoxyphenoxy)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
CID 175065045
[(1R,3S)-1-amino-3-[(6S)-6-[2-(2-methylphenoxy)ethoxy]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
CID 175066140
[(1S,3S)-1-amino-3-[(6R)-6-[2-(3-methoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methyl dihydrogen phosphate
CID 118877557
[(1R,3S)-1-amino-3-[6-[(4-methoxy-2-methylphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
CID 118877566

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-1-amino-3-[(6S)-6-(2-pyridin-2-ylethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol?
The IUPAC name of [(1R,3S)-1-amino-3-[(6S)-6-(2-pyridin-2-ylethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol (CID 118877296) is [(1R,3S)-1-amino-3-[(6S)-6-(2-pyridin-2-ylethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol.
What is the SMILES notation for [(1R,3S)-1-amino-3-[(6S)-6-(2-pyridin-2-ylethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol?
The canonical SMILES for [(1R,3S)-1-amino-3-[(6S)-6-(2-pyridin-2-ylethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol is N[C@]1(CO)CC[C@H](c2ccc3c(c2)CC[C@@H](CCc2ccccn2)C3)C1.
What is the InChIKey of [(1R,3S)-1-amino-3-[(6S)-6-(2-pyridin-2-ylethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol?
The InChIKey is RTQPDTSQQKMGFJ-JWNTYJGQSA-N. The full InChI is InChI=1S/C23H30N2O/c24-23(16-26)11-10-21(15-23)20-8-7-18-13-17(4-6-19(18)14-20)5-9-22-3-1-2-12-25-22/h1-3,7-8,12,14,17,21,26H,4-6,9-11,13,15-16,24H2/t17-,21-,23+/m0/s1.
What are the key properties of [(1R,3S)-1-amino-3-[(6S)-6-(2-pyridin-2-ylethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol?
[(1R,3S)-1-amino-3-[(6S)-6-(2-pyridin-2-ylethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol has a molecular weight of 350.51 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-1-amino-3-[(6S)-6-(2-pyridin-2-ylethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol is sourced from PubChem (CID 118877296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).