(1R)-N-(isoquinolin-4-ylmethyl)-1-pyridin-4-ylethanamine

C17H17N3 — CID 104503981

IUPAC(1R)-N-(isoquinolin-4-ylmethyl)-1-pyridin-4-ylethanamine
SMILESC[C@@H](NCc1cncc2ccccc12)c1ccncc1
InChIInChI=1S/C17H17N3/c1-13(14-6-8-18-9-7-14)20-12-16-11-19-10-15-4-2-3-5-17(15)16/h2-11,13,20H,12H2,1H3/t13-/m1/s1
InChIKeyZRLVGLNZJDDFPA-CYBMUJFWSA-N
MW263.34 g/mol
LogP3.48
Rot. Bonds4

About (1R)-N-(isoquinolin-4-ylmethyl)-1-pyridin-4-ylethanamine

(1R)-N-(isoquinolin-4-ylmethyl)-1-pyridin-4-ylethanamine (PubChem CID 104503981) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (1R)-N-(isoquinolin-4-ylmethyl)-1-pyridin-4-ylethanamine.

Molecular Properties

Compound Name(1R)-N-(isoquinolin-4-ylmethyl)-1-pyridin-4-ylethanamine
PubChem CID104503981
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name(1R)-N-(isoquinolin-4-ylmethyl)-1-pyridin-4-ylethanamine
SMILESC[C@@H](NCc1cncc2ccccc12)c1ccncc1
InChIInChI=1S/C17H17N3/c1-13(14-6-8-18-9-7-14)20-12-16-11-19-10-15-4-2-3-5-17(15)16/h2-11,13,20H,12H2,1H3/t13-/m1/s1
InChIKeyZRLVGLNZJDDFPA-CYBMUJFWSA-N
XLogP3.48
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N-(isoquinolin-4-ylmethyl)-1-(4-methylphenyl)ethanamine
CID 104503955
(1R)-N-(isoquinolin-5-ylmethyl)-1-phenylethanamine
CID 81351365
N-(isoquinolin-5-ylmethyl)-1-phenylethanamine
CID 62823520
N-(isoquinolin-4-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 115908048
N-(isoquinolin-5-ylmethyl)-1-(1H-pyrazol-4-yl)ethanamine
CID 106209528
(1R)-N-(1H-indol-3-ylmethyl)-1-pyridin-4-ylethanamine
CID 81406304
1-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]naphthalen-2-ol
CID 28643983
N-(isoquinolin-4-ylmethyl)pent-4-en-2-amine
CID 115748456
N-[(2-fluorophenyl)methyl]-1-pyridin-4-ylethanamine
CID 43178816
(1R)-1-pyridin-4-yl-N-(quinolin-8-ylmethyl)ethanamine
CID 28644871
N-(isoquinolin-4-ylmethyl)-2-phenylpropan-1-amine
CID 115748187
N-(isoquinolin-4-ylmethyl)-1-thiophen-2-ylpropan-1-amine
CID 115904955

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(isoquinolin-4-ylmethyl)-1-pyridin-4-ylethanamine?
The IUPAC name of (1R)-N-(isoquinolin-4-ylmethyl)-1-pyridin-4-ylethanamine (CID 104503981) is (1R)-N-(isoquinolin-4-ylmethyl)-1-pyridin-4-ylethanamine.
What is the SMILES notation for (1R)-N-(isoquinolin-4-ylmethyl)-1-pyridin-4-ylethanamine?
The canonical SMILES for (1R)-N-(isoquinolin-4-ylmethyl)-1-pyridin-4-ylethanamine is C[C@@H](NCc1cncc2ccccc12)c1ccncc1.
What is the InChIKey of (1R)-N-(isoquinolin-4-ylmethyl)-1-pyridin-4-ylethanamine?
The InChIKey is ZRLVGLNZJDDFPA-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H17N3/c1-13(14-6-8-18-9-7-14)20-12-16-11-19-10-15-4-2-3-5-17(15)16/h2-11,13,20H,12H2,1H3/t13-/m1/s1.
What are the key properties of (1R)-N-(isoquinolin-4-ylmethyl)-1-pyridin-4-ylethanamine?
(1R)-N-(isoquinolin-4-ylmethyl)-1-pyridin-4-ylethanamine has a molecular weight of 263.34 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(isoquinolin-4-ylmethyl)-1-pyridin-4-ylethanamine is sourced from PubChem (CID 104503981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).