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

C22H37NO3 — CID 138467940

IUPAC(5R)-6-amino-5-[(6S)-6-(2-propoxyethoxymethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol
SMILESCCCOCCOC[C@H]1CCc2cc([C@H](CN)CCCCO)ccc2C1
InChIInChI=1S/C22H37NO3/c1-2-11-25-12-13-26-17-18-6-7-20-15-21(9-8-19(20)14-18)22(16-23)5-3-4-10-24/h8-9,15,18,22,24H,2-7,10-14,16-17,23H2,1H3/t18-,22-/m0/s1
InChIKeySSDHQJXWUAMZOM-AVRDEDQJSA-N
MW363.54 g/mol
LogP3.44
Rot. Bonds13

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

(5R)-6-amino-5-[(6S)-6-(2-propoxyethoxymethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol (PubChem CID 138467940) has the molecular formula C22H37NO3 and a molecular weight of 363.54 g/mol. Its IUPAC name is (5R)-6-amino-5-[(6S)-6-(2-propoxyethoxymethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol.

Molecular Properties

Compound Name(5R)-6-amino-5-[(6S)-6-(2-propoxyethoxymethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol
PubChem CID138467940
Molecular FormulaC22H37NO3
Molecular Weight363.54 g/mol
Exact Mass363.28
IUPAC Name(5R)-6-amino-5-[(6S)-6-(2-propoxyethoxymethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol
SMILESCCCOCCOC[C@H]1CCc2cc([C@H](CN)CCCCO)ccc2C1
InChIInChI=1S/C22H37NO3/c1-2-11-25-12-13-26-17-18-6-7-20-15-21(9-8-19(20)14-18)22(16-23)5-3-4-10-24/h8-9,15,18,22,24H,2-7,10-14,16-17,23H2,1H3/t18-,22-/m0/s1
InChIKeySSDHQJXWUAMZOM-AVRDEDQJSA-N
XLogP3.44
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.54
LogP ≤ 53.44
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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Related Compounds

(5R)-6-amino-5-[(6R)-6-(4,4,4-trifluorobutoxymethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol
CID 138467665
(5S)-6-amino-5-[(6S)-6-(3-ethoxypropyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol
CID 138467951
(5R)-6-amino-5-[(6S)-6-(propylsulfanylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol
CID 155097114
(5R)-6-amino-5-[(6S)-6-(butylsulfanylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol
CID 138467941
(5R)-6-amino-5-[(6S)-6-[(2-methylphenoxy)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol
CID 138467658
(5S)-6-amino-5-[(6R)-6-[(2-chloro-5-methoxyphenoxy)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol
CID 138467989
(5R)-6-amino-5-[(6R)-6-(phenylsulfanylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol
CID 138467972
(5R)-6-amino-5-[(6R)-6-[[3-(trifluoromethoxy)phenoxy]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol
CID 170025738
(5R)-6-amino-5-[(6R)-6-[(3-tert-butyl-4-methoxyphenoxy)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol
CID 138467666
3-[[(2R)-6-[(2R)-1-amino-6-hydroxyhexan-2-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-N,N-dimethylbenzamide
CID 138467670
3-[[(2R)-6-[(2R)-1-amino-6-hydroxyhexan-2-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-N-ethyl-N-methylbenzamide
CID 155097356
(5R)-6-amino-5-[(6S)-6-(2-cyclohexyloxyethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol
CID 155097402

Frequently Asked Questions

What is the IUPAC name of (5R)-6-amino-5-[(6S)-6-(2-propoxyethoxymethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol?
The IUPAC name of (5R)-6-amino-5-[(6S)-6-(2-propoxyethoxymethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol (CID 138467940) is (5R)-6-amino-5-[(6S)-6-(2-propoxyethoxymethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol.
What is the SMILES notation for (5R)-6-amino-5-[(6S)-6-(2-propoxyethoxymethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol?
The canonical SMILES for (5R)-6-amino-5-[(6S)-6-(2-propoxyethoxymethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol is CCCOCCOC[C@H]1CCc2cc([C@H](CN)CCCCO)ccc2C1.
What is the InChIKey of (5R)-6-amino-5-[(6S)-6-(2-propoxyethoxymethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol?
The InChIKey is SSDHQJXWUAMZOM-AVRDEDQJSA-N. The full InChI is InChI=1S/C22H37NO3/c1-2-11-25-12-13-26-17-18-6-7-20-15-21(9-8-19(20)14-18)22(16-23)5-3-4-10-24/h8-9,15,18,22,24H,2-7,10-14,16-17,23H2,1H3/t18-,22-/m0/s1.
What are the key properties of (5R)-6-amino-5-[(6S)-6-(2-propoxyethoxymethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol?
(5R)-6-amino-5-[(6S)-6-(2-propoxyethoxymethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol has a molecular weight of 363.54 g/mol, XLogP of 3.44, 13 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-propoxyethoxymethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol is sourced from PubChem (CID 138467940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).