(5S,8R)-5-[(2S)-6-amino-5-hydroxy-6-methylheptan-2-yl]-3,8-dimethyl-5,6,7,8-tetrahydronaphthalen-1-ol

C20H33NO2 — CID 70694587

IUPAC(5S,8R)-5-[(2S)-6-amino-5-hydroxy-6-methylheptan-2-yl]-3,8-dimethyl-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCc1cc(O)c2c(c1)[C@H]([C@@H](C)CCC(O)C(C)(C)N)CC[C@H]2C
InChIInChI=1S/C20H33NO2/c1-12-10-16-15(8-6-14(3)19(16)17(22)11-12)13(2)7-9-18(23)20(4,5)21/h10-11,13-15,18,22-23H,6-9,21H2,1-5H3/t13-,14+,15-,18?/m0/s1
InChIKeyMXWDPRUBCHXJLG-ITOLWWRJSA-N
MW319.49 g/mol
LogP4.20
Rot. Bonds5

About (5S,8R)-5-[(2S)-6-amino-5-hydroxy-6-methylheptan-2-yl]-3,8-dimethyl-5,6,7,8-tetrahydronaphthalen-1-ol

(5S,8R)-5-[(2S)-6-amino-5-hydroxy-6-methylheptan-2-yl]-3,8-dimethyl-5,6,7,8-tetrahydronaphthalen-1-ol (PubChem CID 70694587) has the molecular formula C20H33NO2 and a molecular weight of 319.49 g/mol. Its IUPAC name is (5S,8R)-5-[(2S)-6-amino-5-hydroxy-6-methylheptan-2-yl]-3,8-dimethyl-5,6,7,8-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name(5S,8R)-5-[(2S)-6-amino-5-hydroxy-6-methylheptan-2-yl]-3,8-dimethyl-5,6,7,8-tetrahydronaphthalen-1-ol
PubChem CID70694587
Molecular FormulaC20H33NO2
Molecular Weight319.49 g/mol
Exact Mass319.25
IUPAC Name(5S,8R)-5-[(2S)-6-amino-5-hydroxy-6-methylheptan-2-yl]-3,8-dimethyl-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCc1cc(O)c2c(c1)[C@H]([C@@H](C)CCC(O)C(C)(C)N)CC[C@H]2C
InChIInChI=1S/C20H33NO2/c1-12-10-16-15(8-6-14(3)19(16)17(22)11-12)13(2)7-9-18(23)20(4,5)21/h10-11,13-15,18,22-23H,6-9,21H2,1-5H3/t13-,14+,15-,18?/m0/s1
InChIKeyMXWDPRUBCHXJLG-ITOLWWRJSA-N
XLogP4.20
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (5S,8R)-5-[(2S)-6-amino-5-hydroxy-6-methylheptan-2-yl]-3,8-dimethyl-5,6,7,8-tetrahydronaphthalen-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S,8R)-5-[(2S)-6-amino-5-hydroxy-6-methylheptan-2-yl]-3,8-dimethyl-5,6,7,8-tetrahydronaphthalen-1-ol?
The IUPAC name of (5S,8R)-5-[(2S)-6-amino-5-hydroxy-6-methylheptan-2-yl]-3,8-dimethyl-5,6,7,8-tetrahydronaphthalen-1-ol (CID 70694587) is (5S,8R)-5-[(2S)-6-amino-5-hydroxy-6-methylheptan-2-yl]-3,8-dimethyl-5,6,7,8-tetrahydronaphthalen-1-ol.
What is the SMILES notation for (5S,8R)-5-[(2S)-6-amino-5-hydroxy-6-methylheptan-2-yl]-3,8-dimethyl-5,6,7,8-tetrahydronaphthalen-1-ol?
The canonical SMILES for (5S,8R)-5-[(2S)-6-amino-5-hydroxy-6-methylheptan-2-yl]-3,8-dimethyl-5,6,7,8-tetrahydronaphthalen-1-ol is Cc1cc(O)c2c(c1)[C@H]([C@@H](C)CCC(O)C(C)(C)N)CC[C@H]2C.
What is the InChIKey of (5S,8R)-5-[(2S)-6-amino-5-hydroxy-6-methylheptan-2-yl]-3,8-dimethyl-5,6,7,8-tetrahydronaphthalen-1-ol?
The InChIKey is MXWDPRUBCHXJLG-ITOLWWRJSA-N. The full InChI is InChI=1S/C20H33NO2/c1-12-10-16-15(8-6-14(3)19(16)17(22)11-12)13(2)7-9-18(23)20(4,5)21/h10-11,13-15,18,22-23H,6-9,21H2,1-5H3/t13-,14+,15-,18?/m0/s1.
What are the key properties of (5S,8R)-5-[(2S)-6-amino-5-hydroxy-6-methylheptan-2-yl]-3,8-dimethyl-5,6,7,8-tetrahydronaphthalen-1-ol?
(5S,8R)-5-[(2S)-6-amino-5-hydroxy-6-methylheptan-2-yl]-3,8-dimethyl-5,6,7,8-tetrahydronaphthalen-1-ol has a molecular weight of 319.49 g/mol, XLogP of 4.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,8R)-5-[(2S)-6-amino-5-hydroxy-6-methylheptan-2-yl]-3,8-dimethyl-5,6,7,8-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 70694587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).