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

C22H35NO2 — CID 118877371

IUPAC[(1R,3R)-1-amino-3-[(6S)-6-(5-methoxypentyl)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
SMILESCOCCCCC[C@H]1CCc2cc([C@@H]3CC[C@](N)(CO)C3)ccc2C1
InChIInChI=1S/C22H35NO2/c1-25-12-4-2-3-5-17-6-7-19-14-20(9-8-18(19)13-17)21-10-11-22(23,15-21)16-24/h8-9,14,17,21,24H,2-7,10-13,15-16,23H2,1H3/t17-,21+,22+/m0/s1
InChIKeyCMZZUAAIKUIMSG-MTNREXPMSA-N
MW345.53 g/mol
LogP3.96
Rot. Bonds8

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

[(1R,3R)-1-amino-3-[(6S)-6-(5-methoxypentyl)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol (PubChem CID 118877371) has the molecular formula C22H35NO2 and a molecular weight of 345.53 g/mol. Its IUPAC name is [(1R,3R)-1-amino-3-[(6S)-6-(5-methoxypentyl)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol.

Molecular Properties

Compound Name[(1R,3R)-1-amino-3-[(6S)-6-(5-methoxypentyl)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
PubChem CID118877371
Molecular FormulaC22H35NO2
Molecular Weight345.53 g/mol
Exact Mass345.27
IUPAC Name[(1R,3R)-1-amino-3-[(6S)-6-(5-methoxypentyl)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
SMILESCOCCCCC[C@H]1CCc2cc([C@@H]3CC[C@](N)(CO)C3)ccc2C1
InChIInChI=1S/C22H35NO2/c1-25-12-4-2-3-5-17-6-7-19-14-20(9-8-18(19)13-17)21-10-11-22(23,15-21)16-24/h8-9,14,17,21,24H,2-7,10-13,15-16,23H2,1H3/t17-,21+,22+/m0/s1
InChIKeyCMZZUAAIKUIMSG-MTNREXPMSA-N
XLogP3.96
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.53
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1R,3R)-1-amino-3-[(6S)-6-(5-methoxypentyl)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol?
The IUPAC name of [(1R,3R)-1-amino-3-[(6S)-6-(5-methoxypentyl)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol (CID 118877371) is [(1R,3R)-1-amino-3-[(6S)-6-(5-methoxypentyl)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol.
What is the SMILES notation for [(1R,3R)-1-amino-3-[(6S)-6-(5-methoxypentyl)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol?
The canonical SMILES for [(1R,3R)-1-amino-3-[(6S)-6-(5-methoxypentyl)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol is COCCCCC[C@H]1CCc2cc([C@@H]3CC[C@](N)(CO)C3)ccc2C1.
What is the InChIKey of [(1R,3R)-1-amino-3-[(6S)-6-(5-methoxypentyl)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol?
The InChIKey is CMZZUAAIKUIMSG-MTNREXPMSA-N. The full InChI is InChI=1S/C22H35NO2/c1-25-12-4-2-3-5-17-6-7-19-14-20(9-8-18(19)13-17)21-10-11-22(23,15-21)16-24/h8-9,14,17,21,24H,2-7,10-13,15-16,23H2,1H3/t17-,21+,22+/m0/s1.
What are the key properties of [(1R,3R)-1-amino-3-[(6S)-6-(5-methoxypentyl)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol?
[(1R,3R)-1-amino-3-[(6S)-6-(5-methoxypentyl)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol has a molecular weight of 345.53 g/mol, XLogP of 3.96, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R)-1-amino-3-[(6S)-6-(5-methoxypentyl)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol is sourced from PubChem (CID 118877371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).