3-amino-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)cyclohexan-1-ol

C15H22N2O — CID 80561247

IUPAC3-amino-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)cyclohexan-1-ol
SMILESNC1CCCC(O)(C2NCCc3ccccc32)C1
InChIInChI=1S/C15H22N2O/c16-12-5-3-8-15(18,10-12)14-13-6-2-1-4-11(13)7-9-17-14/h1-2,4,6,12,14,17-18H,3,5,7-10,16H2
InChIKeyROJVQFTZJVCYCP-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.51
Rot. Bonds1

About 3-amino-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)cyclohexan-1-ol

3-amino-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)cyclohexan-1-ol (PubChem CID 80561247) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-amino-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-amino-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)cyclohexan-1-ol
PubChem CID80561247
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-amino-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)cyclohexan-1-ol
SMILESNC1CCCC(O)(C2NCCc3ccccc32)C1
InChIInChI=1S/C15H22N2O/c16-12-5-3-8-15(18,10-12)14-13-6-2-1-4-11(13)7-9-17-14/h1-2,4,6,12,14,17-18H,3,5,7-10,16H2
InChIKeyROJVQFTZJVCYCP-UHFFFAOYSA-N
XLogP1.51
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-amino-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)cyclohexan-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 3-amino-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)cyclohexan-1-ol?
The IUPAC name of 3-amino-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)cyclohexan-1-ol (CID 80561247) is 3-amino-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)cyclohexan-1-ol.
What is the SMILES notation for 3-amino-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)cyclohexan-1-ol?
The canonical SMILES for 3-amino-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)cyclohexan-1-ol is NC1CCCC(O)(C2NCCc3ccccc32)C1.
What is the InChIKey of 3-amino-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)cyclohexan-1-ol?
The InChIKey is ROJVQFTZJVCYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c16-12-5-3-8-15(18,10-12)14-13-6-2-1-4-11(13)7-9-17-14/h1-2,4,6,12,14,17-18H,3,5,7-10,16H2.
What are the key properties of 3-amino-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)cyclohexan-1-ol?
3-amino-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)cyclohexan-1-ol has a molecular weight of 246.35 g/mol, XLogP of 1.51, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 80561247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).