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

C25H31NO — CID 118899965

IUPAC[(1R,3S)-1-amino-3-[(6R)-6-[(E)-2-(3-methylphenyl)ethenyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
SMILESCc1cccc(/C=C/[C@@H]2CCc3cc([C@H]4CC[C@](N)(CO)C4)ccc3C2)c1
InChIInChI=1S/C25H31NO/c1-18-3-2-4-19(13-18)5-6-20-7-8-22-15-23(10-9-21(22)14-20)24-11-12-25(26,16-24)17-27/h2-6,9-10,13,15,20,24,27H,7-8,11-12,14,16-17,26H2,1H3/b6-5+/t20-,24+,25-/m1/s1
InChIKeyDIHYIWYLYQJGAO-ZEBAXETDSA-N
MW361.53 g/mol
LogP4.77
Rot. Bonds4

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

[(1R,3S)-1-amino-3-[(6R)-6-[(E)-2-(3-methylphenyl)ethenyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol (PubChem CID 118899965) has the molecular formula C25H31NO and a molecular weight of 361.53 g/mol. Its IUPAC name is [(1R,3S)-1-amino-3-[(6R)-6-[(E)-2-(3-methylphenyl)ethenyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol.

Molecular Properties

Compound Name[(1R,3S)-1-amino-3-[(6R)-6-[(E)-2-(3-methylphenyl)ethenyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
PubChem CID118899965
Molecular FormulaC25H31NO
Molecular Weight361.53 g/mol
Exact Mass361.24
IUPAC Name[(1R,3S)-1-amino-3-[(6R)-6-[(E)-2-(3-methylphenyl)ethenyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
SMILESCc1cccc(/C=C/[C@@H]2CCc3cc([C@H]4CC[C@](N)(CO)C4)ccc3C2)c1
InChIInChI=1S/C25H31NO/c1-18-3-2-4-19(13-18)5-6-20-7-8-22-15-23(10-9-21(22)14-20)24-11-12-25(26,16-24)17-27/h2-6,9-10,13,15,20,24,27H,7-8,11-12,14,16-17,26H2,1H3/b6-5+/t20-,24+,25-/m1/s1
InChIKeyDIHYIWYLYQJGAO-ZEBAXETDSA-N
XLogP4.77
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(1R,3S)-1-amino-3-[(6R)-6-[(E)-2-(3-methylphenyl)ethenyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol with MolForge

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Related Compounds

Bms-986104
CID 77050638
BMS-986104 derivative 24
CID 118877392
((1R,3S)-1-amino-3-((R)-6-hexyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl)methyl dihydrogen phosphate
CID 78321974
[(1R,3S)-1-amino-3-[(6R)-6-(5-methoxypentyl)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methyl dihydrogen phosphate
CID 118877603
[1-Amino-3-(6-hexyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol
CID 90343550
((1R,3S)-1-amino-3-(6-(heptyloxy)-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl)methanol
CID 118877258
((1R,3S)-1-amino-3-((R)-6-((E)-hex-3-en-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl)methanol
CID 118877299
((1R,3S)-1-amino-3-((R)-6-(3-ethoxypropyl)-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl)methanol
CID 118877312
[(1R,3S)-1-amino-3-(6-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol
CID 118877398
[(1R,3S)-1-amino-3-[(6R)-6-(5-methoxypentyl)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
CID 118877478
((1R,3S)-1-amino-3-((R)-6-((E)-hex-1-en-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl)methanol
CID 118877541
((1R,3S)-1-amino-3-(6-(pentyloxy)-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl) methanol
CID 118877559

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-1-amino-3-[(6R)-6-[(E)-2-(3-methylphenyl)ethenyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol?
The IUPAC name of [(1R,3S)-1-amino-3-[(6R)-6-[(E)-2-(3-methylphenyl)ethenyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol (CID 118899965) is [(1R,3S)-1-amino-3-[(6R)-6-[(E)-2-(3-methylphenyl)ethenyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol.
What is the SMILES notation for [(1R,3S)-1-amino-3-[(6R)-6-[(E)-2-(3-methylphenyl)ethenyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol?
The canonical SMILES for [(1R,3S)-1-amino-3-[(6R)-6-[(E)-2-(3-methylphenyl)ethenyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol is Cc1cccc(/C=C/[C@@H]2CCc3cc([C@H]4CC[C@](N)(CO)C4)ccc3C2)c1.
What is the InChIKey of [(1R,3S)-1-amino-3-[(6R)-6-[(E)-2-(3-methylphenyl)ethenyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol?
The InChIKey is DIHYIWYLYQJGAO-ZEBAXETDSA-N. The full InChI is InChI=1S/C25H31NO/c1-18-3-2-4-19(13-18)5-6-20-7-8-22-15-23(10-9-21(22)14-20)24-11-12-25(26,16-24)17-27/h2-6,9-10,13,15,20,24,27H,7-8,11-12,14,16-17,26H2,1H3/b6-5+/t20-,24+,25-/m1/s1.
What are the key properties of [(1R,3S)-1-amino-3-[(6R)-6-[(E)-2-(3-methylphenyl)ethenyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol?
[(1R,3S)-1-amino-3-[(6R)-6-[(E)-2-(3-methylphenyl)ethenyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol has a molecular weight of 361.53 g/mol, XLogP of 4.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-1-amino-3-[(6R)-6-[(E)-2-(3-methylphenyl)ethenyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol is sourced from PubChem (CID 118899965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).