(5S)-6-amino-5-[(6S)-6-(3-ethoxypropyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol

C21H35NO2 — CID 138467951

IUPAC(5S)-6-amino-5-[(6S)-6-(3-ethoxypropyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol
SMILESCCOCCC[C@@H]1CCc2cc([C@@H](CN)CCCCO)ccc2C1
InChIInChI=1S/C21H35NO2/c1-2-24-13-5-6-17-8-9-19-15-20(11-10-18(19)14-17)21(16-22)7-3-4-12-23/h10-11,15,17,21,23H,2-9,12-14,16,22H2,1H3/t17-,21-/m1/s1
InChIKeyHNKJLKGLQDYRKE-DYESRHJHSA-N
MW333.52 g/mol
LogP3.81
Rot. Bonds11

About (5S)-6-amino-5-[(6S)-6-(3-ethoxypropyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol

(5S)-6-amino-5-[(6S)-6-(3-ethoxypropyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol (PubChem CID 138467951) has the molecular formula C21H35NO2 and a molecular weight of 333.52 g/mol. Its IUPAC name is (5S)-6-amino-5-[(6S)-6-(3-ethoxypropyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol.

Molecular Properties

Compound Name(5S)-6-amino-5-[(6S)-6-(3-ethoxypropyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol
PubChem CID138467951
Molecular FormulaC21H35NO2
Molecular Weight333.52 g/mol
Exact Mass333.27
IUPAC Name(5S)-6-amino-5-[(6S)-6-(3-ethoxypropyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol
SMILESCCOCCC[C@@H]1CCc2cc([C@@H](CN)CCCCO)ccc2C1
InChIInChI=1S/C21H35NO2/c1-2-24-13-5-6-17-8-9-19-15-20(11-10-18(19)14-17)21(16-22)7-3-4-12-23/h10-11,15,17,21,23H,2-9,12-14,16,22H2,1H3/t17-,21-/m1/s1
InChIKeyHNKJLKGLQDYRKE-DYESRHJHSA-N
XLogP3.81
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.52
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5S)-6-amino-5-[(6S)-6-(3-ethoxypropyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-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)-6-amino-5-[(6S)-6-(3-ethoxypropyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol?
The IUPAC name of (5S)-6-amino-5-[(6S)-6-(3-ethoxypropyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol (CID 138467951) is (5S)-6-amino-5-[(6S)-6-(3-ethoxypropyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol.
What is the SMILES notation for (5S)-6-amino-5-[(6S)-6-(3-ethoxypropyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol?
The canonical SMILES for (5S)-6-amino-5-[(6S)-6-(3-ethoxypropyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol is CCOCCC[C@@H]1CCc2cc([C@@H](CN)CCCCO)ccc2C1.
What is the InChIKey of (5S)-6-amino-5-[(6S)-6-(3-ethoxypropyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol?
The InChIKey is HNKJLKGLQDYRKE-DYESRHJHSA-N. The full InChI is InChI=1S/C21H35NO2/c1-2-24-13-5-6-17-8-9-19-15-20(11-10-18(19)14-17)21(16-22)7-3-4-12-23/h10-11,15,17,21,23H,2-9,12-14,16,22H2,1H3/t17-,21-/m1/s1.
What are the key properties of (5S)-6-amino-5-[(6S)-6-(3-ethoxypropyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol?
(5S)-6-amino-5-[(6S)-6-(3-ethoxypropyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol has a molecular weight of 333.52 g/mol, XLogP of 3.81, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-6-amino-5-[(6S)-6-(3-ethoxypropyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol is sourced from PubChem (CID 138467951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).