(1R,9aR)-1-[[(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]methyl]-2,3,4,6,7,8,9,9a-octahydroquinolizin-1-ol

C18H32N2O2 — CID 46992532

IUPAC(1R,9aR)-1-[[(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]methyl]-2,3,4,6,7,8,9,9a-octahydroquinolizin-1-ol
SMILESC=CCC(O)(CC=C)CNC[C@]1(O)CCCN2CCCC[C@@H]21
InChIInChI=1S/C18H32N2O2/c1-3-9-17(21,10-4-2)14-19-15-18(22)11-7-13-20-12-6-5-8-16(18)20/h3-4,16,19,21-22H,1-2,5-15H2/t16-,18-/m1/s1
InChIKeyBHOKIBANGMZNGA-SJLPKXTDSA-N
MW308.47 g/mol
LogP1.84
Rot. Bonds8

About (1R,9aR)-1-[[(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]methyl]-2,3,4,6,7,8,9,9a-octahydroquinolizin-1-ol

(1R,9aR)-1-[[(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]methyl]-2,3,4,6,7,8,9,9a-octahydroquinolizin-1-ol (PubChem CID 46992532) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is (1R,9aR)-1-[[(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]methyl]-2,3,4,6,7,8,9,9a-octahydroquinolizin-1-ol.

Molecular Properties

Compound Name(1R,9aR)-1-[[(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]methyl]-2,3,4,6,7,8,9,9a-octahydroquinolizin-1-ol
PubChem CID46992532
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Name(1R,9aR)-1-[[(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]methyl]-2,3,4,6,7,8,9,9a-octahydroquinolizin-1-ol
SMILESC=CCC(O)(CC=C)CNC[C@]1(O)CCCN2CCCC[C@@H]21
InChIInChI=1S/C18H32N2O2/c1-3-9-17(21,10-4-2)14-19-15-18(22)11-7-13-20-12-6-5-8-16(18)20/h3-4,16,19,21-22H,1-2,5-15H2/t16-,18-/m1/s1
InChIKeyBHOKIBANGMZNGA-SJLPKXTDSA-N
XLogP1.84
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1R,9aR)-1-[[(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]methyl]-2,3,4,6,7,8,9,9a-octahydroquinolizin-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 (1R,9aR)-1-[[(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]methyl]-2,3,4,6,7,8,9,9a-octahydroquinolizin-1-ol?
The IUPAC name of (1R,9aR)-1-[[(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]methyl]-2,3,4,6,7,8,9,9a-octahydroquinolizin-1-ol (CID 46992532) is (1R,9aR)-1-[[(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]methyl]-2,3,4,6,7,8,9,9a-octahydroquinolizin-1-ol.
What is the SMILES notation for (1R,9aR)-1-[[(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]methyl]-2,3,4,6,7,8,9,9a-octahydroquinolizin-1-ol?
The canonical SMILES for (1R,9aR)-1-[[(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]methyl]-2,3,4,6,7,8,9,9a-octahydroquinolizin-1-ol is C=CCC(O)(CC=C)CNC[C@]1(O)CCCN2CCCC[C@@H]21.
What is the InChIKey of (1R,9aR)-1-[[(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]methyl]-2,3,4,6,7,8,9,9a-octahydroquinolizin-1-ol?
The InChIKey is BHOKIBANGMZNGA-SJLPKXTDSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-3-9-17(21,10-4-2)14-19-15-18(22)11-7-13-20-12-6-5-8-16(18)20/h3-4,16,19,21-22H,1-2,5-15H2/t16-,18-/m1/s1.
What are the key properties of (1R,9aR)-1-[[(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]methyl]-2,3,4,6,7,8,9,9a-octahydroquinolizin-1-ol?
(1R,9aR)-1-[[(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]methyl]-2,3,4,6,7,8,9,9a-octahydroquinolizin-1-ol has a molecular weight of 308.47 g/mol, XLogP of 1.84, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9aR)-1-[[(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]methyl]-2,3,4,6,7,8,9,9a-octahydroquinolizin-1-ol is sourced from PubChem (CID 46992532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).