(5R)-6-amino-5-[(6S)-6-(2-cyclohexyloxyethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol

C24H39NO3 — CID 155097402

IUPAC(5R)-6-amino-5-[(6S)-6-(2-cyclohexyloxyethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol
SMILESNC[C@H](CCCCO)c1ccc2c(c1)CC[C@H](OCCOC1CCCCC1)C2
InChIInChI=1S/C24H39NO3/c25-18-22(6-4-5-13-26)20-9-10-21-17-24(12-11-19(21)16-20)28-15-14-27-23-7-2-1-3-8-23/h9-10,16,22-24,26H,1-8,11-15,17-18,25H2/t22-,24-/m0/s1
InChIKeyOVFQDZYBGSSPLG-UPVQGACJSA-N
MW389.58 g/mol
LogP4.11
Rot. Bonds11

About (5R)-6-amino-5-[(6S)-6-(2-cyclohexyloxyethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol

(5R)-6-amino-5-[(6S)-6-(2-cyclohexyloxyethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol (PubChem CID 155097402) has the molecular formula C24H39NO3 and a molecular weight of 389.58 g/mol. Its IUPAC name is (5R)-6-amino-5-[(6S)-6-(2-cyclohexyloxyethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol.

Molecular Properties

Compound Name(5R)-6-amino-5-[(6S)-6-(2-cyclohexyloxyethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol
PubChem CID155097402
Molecular FormulaC24H39NO3
Molecular Weight389.58 g/mol
Exact Mass389.29
IUPAC Name(5R)-6-amino-5-[(6S)-6-(2-cyclohexyloxyethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol
SMILESNC[C@H](CCCCO)c1ccc2c(c1)CC[C@H](OCCOC1CCCCC1)C2
InChIInChI=1S/C24H39NO3/c25-18-22(6-4-5-13-26)20-9-10-21-17-24(12-11-19(21)16-20)28-15-14-27-23-7-2-1-3-8-23/h9-10,16,22-24,26H,1-8,11-15,17-18,25H2/t22-,24-/m0/s1
InChIKeyOVFQDZYBGSSPLG-UPVQGACJSA-N
XLogP4.11
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.58
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 (5R)-6-amino-5-[(6S)-6-(2-cyclohexyloxyethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol?
The IUPAC name of (5R)-6-amino-5-[(6S)-6-(2-cyclohexyloxyethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol (CID 155097402) is (5R)-6-amino-5-[(6S)-6-(2-cyclohexyloxyethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol.
What is the SMILES notation for (5R)-6-amino-5-[(6S)-6-(2-cyclohexyloxyethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol?
The canonical SMILES for (5R)-6-amino-5-[(6S)-6-(2-cyclohexyloxyethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol is NC[C@H](CCCCO)c1ccc2c(c1)CC[C@H](OCCOC1CCCCC1)C2.
What is the InChIKey of (5R)-6-amino-5-[(6S)-6-(2-cyclohexyloxyethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol?
The InChIKey is OVFQDZYBGSSPLG-UPVQGACJSA-N. The full InChI is InChI=1S/C24H39NO3/c25-18-22(6-4-5-13-26)20-9-10-21-17-24(12-11-19(21)16-20)28-15-14-27-23-7-2-1-3-8-23/h9-10,16,22-24,26H,1-8,11-15,17-18,25H2/t22-,24-/m0/s1.
What are the key properties of (5R)-6-amino-5-[(6S)-6-(2-cyclohexyloxyethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol?
(5R)-6-amino-5-[(6S)-6-(2-cyclohexyloxyethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol has a molecular weight of 389.58 g/mol, XLogP of 4.11, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-6-amino-5-[(6S)-6-(2-cyclohexyloxyethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol is sourced from PubChem (CID 155097402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).