(6S)-6-[(2S)-3-amino-2-methylpropyl]cyclohex-3-en-1-ol

C10H19NO — CID 89473215

IUPAC(6S)-6-[(2S)-3-amino-2-methylpropyl]cyclohex-3-en-1-ol
SMILESC[C@H](CN)C[C@@H]1CC=CCC1O
InChIInChI=1S/C10H19NO/c1-8(7-11)6-9-4-2-3-5-10(9)12/h2-3,8-10,12H,4-7,11H2,1H3/t8-,9-,10?/m0/s1
InChIKeyZQUAUGWWPAJFRJ-XMCUXHSSSA-N
MW169.27 g/mol
LogP1.30
Rot. Bonds3

About (6S)-6-[(2S)-3-amino-2-methylpropyl]cyclohex-3-en-1-ol

(6S)-6-[(2S)-3-amino-2-methylpropyl]cyclohex-3-en-1-ol (PubChem CID 89473215) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (6S)-6-[(2S)-3-amino-2-methylpropyl]cyclohex-3-en-1-ol.

Molecular Properties

Compound Name(6S)-6-[(2S)-3-amino-2-methylpropyl]cyclohex-3-en-1-ol
PubChem CID89473215
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(6S)-6-[(2S)-3-amino-2-methylpropyl]cyclohex-3-en-1-ol
SMILESC[C@H](CN)C[C@@H]1CC=CCC1O
InChIInChI=1S/C10H19NO/c1-8(7-11)6-9-4-2-3-5-10(9)12/h2-3,8-10,12H,4-7,11H2,1H3/t8-,9-,10?/m0/s1
InChIKeyZQUAUGWWPAJFRJ-XMCUXHSSSA-N
XLogP1.30
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (6S)-6-[(2S)-3-amino-2-methylpropyl]cyclohex-3-en-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 (6S)-6-[(2S)-3-amino-2-methylpropyl]cyclohex-3-en-1-ol?
The IUPAC name of (6S)-6-[(2S)-3-amino-2-methylpropyl]cyclohex-3-en-1-ol (CID 89473215) is (6S)-6-[(2S)-3-amino-2-methylpropyl]cyclohex-3-en-1-ol.
What is the SMILES notation for (6S)-6-[(2S)-3-amino-2-methylpropyl]cyclohex-3-en-1-ol?
The canonical SMILES for (6S)-6-[(2S)-3-amino-2-methylpropyl]cyclohex-3-en-1-ol is C[C@H](CN)C[C@@H]1CC=CCC1O.
What is the InChIKey of (6S)-6-[(2S)-3-amino-2-methylpropyl]cyclohex-3-en-1-ol?
The InChIKey is ZQUAUGWWPAJFRJ-XMCUXHSSSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(7-11)6-9-4-2-3-5-10(9)12/h2-3,8-10,12H,4-7,11H2,1H3/t8-,9-,10?/m0/s1.
What are the key properties of (6S)-6-[(2S)-3-amino-2-methylpropyl]cyclohex-3-en-1-ol?
(6S)-6-[(2S)-3-amino-2-methylpropyl]cyclohex-3-en-1-ol has a molecular weight of 169.27 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-[(2S)-3-amino-2-methylpropyl]cyclohex-3-en-1-ol is sourced from PubChem (CID 89473215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).