(6R)-4-amino-6-(isoquinolin-6-ylmethylamino)-2-phenylheptan-2-ol

C23H29N3O — CID 157134711

IUPAC(6R)-4-amino-6-(isoquinolin-6-ylmethylamino)-2-phenylheptan-2-ol
SMILESC[C@H](CC(N)CC(C)(O)c1ccccc1)NCc1ccc2cnccc2c1
InChIInChI=1S/C23H29N3O/c1-17(12-22(24)14-23(2,27)21-6-4-3-5-7-21)26-15-18-8-9-20-16-25-11-10-19(20)13-18/h3-11,13,16-17,22,26-27H,12,14-15,24H2,1-2H3/t17-,22?,23?/m1/s1
InChIKeyAJMJGROGSFOYDE-UIFUMHDPSA-N
MW363.51 g/mol
LogP3.73
Rot. Bonds8

About (6R)-4-amino-6-(isoquinolin-6-ylmethylamino)-2-phenylheptan-2-ol

(6R)-4-amino-6-(isoquinolin-6-ylmethylamino)-2-phenylheptan-2-ol (PubChem CID 157134711) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is (6R)-4-amino-6-(isoquinolin-6-ylmethylamino)-2-phenylheptan-2-ol.

Molecular Properties

Compound Name(6R)-4-amino-6-(isoquinolin-6-ylmethylamino)-2-phenylheptan-2-ol
PubChem CID157134711
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC Name(6R)-4-amino-6-(isoquinolin-6-ylmethylamino)-2-phenylheptan-2-ol
SMILESC[C@H](CC(N)CC(C)(O)c1ccccc1)NCc1ccc2cnccc2c1
InChIInChI=1S/C23H29N3O/c1-17(12-22(24)14-23(2,27)21-6-4-3-5-7-21)26-15-18-8-9-20-16-25-11-10-19(20)13-18/h3-11,13,16-17,22,26-27H,12,14-15,24H2,1-2H3/t17-,22?,23?/m1/s1
InChIKeyAJMJGROGSFOYDE-UIFUMHDPSA-N
XLogP3.73
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (6R)-4-amino-6-(isoquinolin-6-ylmethylamino)-2-phenylheptan-2-ol with MolForge

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Related Compounds

(2R)-6-(1H-indol-3-yl)-2-N-(isoquinolin-6-ylmethyl)hexane-2,4-diamine
CID 158689557
(1R,6R)-6-(isoquinolin-6-ylmethylamino)-1-phenylheptan-1-ol;hydrochloride
CID 158232462
(2S,5R)-2-benzyl-5-(isoquinolin-6-ylmethylamino)hexanoic acid
CID 158703446
methyl (2S,5R)-2-benzyl-5-(isoquinolin-6-ylmethylamino)hexanoate
CID 158703448
(2R)-N-(isoquinolin-6-ylmethyl)-6-(4-phenylphenyl)hexan-2-amine
CID 159200928
(5R)-2-benzyl-5-(isoquinolin-6-ylmethylamino)hexanoic acid;methane
CID 159572075
2-(isoquinolin-6-ylmethylamino)-4-methylpentanoic acid
CID 107038218
(6R)-2-(1H-indazol-5-yl)-6-(isoquinolin-6-ylmethylamino)heptan-2-ol
CID 161001585
methyl (2S)-2-(isoquinolin-6-ylmethylamino)propanoate
CID 107037943
N-(isoquinolin-6-ylmethyl)heptan-2-amine
CID 107037843
(2R)-N-(isoquinolin-6-ylmethyl)nonan-2-amine
CID 160577126
3-(isoquinolin-6-ylmethylamino)-4,4-dimethylpentan-1-ol
CID 106349273

Frequently Asked Questions

What is the IUPAC name of (6R)-4-amino-6-(isoquinolin-6-ylmethylamino)-2-phenylheptan-2-ol?
The IUPAC name of (6R)-4-amino-6-(isoquinolin-6-ylmethylamino)-2-phenylheptan-2-ol (CID 157134711) is (6R)-4-amino-6-(isoquinolin-6-ylmethylamino)-2-phenylheptan-2-ol.
What is the SMILES notation for (6R)-4-amino-6-(isoquinolin-6-ylmethylamino)-2-phenylheptan-2-ol?
The canonical SMILES for (6R)-4-amino-6-(isoquinolin-6-ylmethylamino)-2-phenylheptan-2-ol is C[C@H](CC(N)CC(C)(O)c1ccccc1)NCc1ccc2cnccc2c1.
What is the InChIKey of (6R)-4-amino-6-(isoquinolin-6-ylmethylamino)-2-phenylheptan-2-ol?
The InChIKey is AJMJGROGSFOYDE-UIFUMHDPSA-N. The full InChI is InChI=1S/C23H29N3O/c1-17(12-22(24)14-23(2,27)21-6-4-3-5-7-21)26-15-18-8-9-20-16-25-11-10-19(20)13-18/h3-11,13,16-17,22,26-27H,12,14-15,24H2,1-2H3/t17-,22?,23?/m1/s1.
What are the key properties of (6R)-4-amino-6-(isoquinolin-6-ylmethylamino)-2-phenylheptan-2-ol?
(6R)-4-amino-6-(isoquinolin-6-ylmethylamino)-2-phenylheptan-2-ol has a molecular weight of 363.51 g/mol, XLogP of 3.73, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-amino-6-(isoquinolin-6-ylmethylamino)-2-phenylheptan-2-ol is sourced from PubChem (CID 157134711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).