1-(1H-imidazol-2-yl)-N-(isoquinolin-6-ylmethyl)ethanamine

C15H16N4 — CID 107038994

IUPAC1-(1H-imidazol-2-yl)-N-(isoquinolin-6-ylmethyl)ethanamine
SMILESCC(NCc1ccc2cnccc2c1)c1ncc[nH]1
InChIInChI=1S/C15H16N4/c1-11(15-17-6-7-18-15)19-9-12-2-3-14-10-16-5-4-13(14)8-12/h2-8,10-11,19H,9H2,1H3,(H,17,18)
InChIKeyXVSYNVPBFHAFGL-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.81
Rot. Bonds4

About 1-(1H-imidazol-2-yl)-N-(isoquinolin-6-ylmethyl)ethanamine

1-(1H-imidazol-2-yl)-N-(isoquinolin-6-ylmethyl)ethanamine (PubChem CID 107038994) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-(1H-imidazol-2-yl)-N-(isoquinolin-6-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(1H-imidazol-2-yl)-N-(isoquinolin-6-ylmethyl)ethanamine
PubChem CID107038994
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name1-(1H-imidazol-2-yl)-N-(isoquinolin-6-ylmethyl)ethanamine
SMILESCC(NCc1ccc2cnccc2c1)c1ncc[nH]1
InChIInChI=1S/C15H16N4/c1-11(15-17-6-7-18-15)19-9-12-2-3-14-10-16-5-4-13(14)8-12/h2-8,10-11,19H,9H2,1H3,(H,17,18)
InChIKeyXVSYNVPBFHAFGL-UHFFFAOYSA-N
XLogP2.81
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-(1H-imidazol-2-yl)ethanamine
CID 22398694
(1S)-N-(isoquinolin-6-ylmethyl)-1-thiophen-2-ylethanamine
CID 107038718
3-[1-(isoquinolin-6-ylmethylamino)ethyl]phenol
CID 107037984
2-(isoquinolin-6-ylmethylamino)-4-methylpentanoic acid
CID 107038218
(1S)-1-cyclopentyl-N-(isoquinolin-6-ylmethyl)ethanamine
CID 107038710
methyl (2S)-2-(isoquinolin-6-ylmethylamino)propanoate
CID 107037943
N-(isoquinolin-6-ylmethyl)heptan-2-amine
CID 107037843
(1R)-1-cyclopentyl-N-(isoquinolin-6-ylmethyl)ethanamine
CID 107038712
(2R)-N-(isoquinolin-6-ylmethyl)nonan-2-amine
CID 160577126
1-(1H-imidazol-2-yl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]ethanamine
CID 119036262
1-(1H-imidazol-2-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 91513422
N-(isoquinolin-6-ylmethyl)-1-pyridin-4-ylmethanamine
CID 107037686

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-yl)-N-(isoquinolin-6-ylmethyl)ethanamine?
The IUPAC name of 1-(1H-imidazol-2-yl)-N-(isoquinolin-6-ylmethyl)ethanamine (CID 107038994) is 1-(1H-imidazol-2-yl)-N-(isoquinolin-6-ylmethyl)ethanamine.
What is the SMILES notation for 1-(1H-imidazol-2-yl)-N-(isoquinolin-6-ylmethyl)ethanamine?
The canonical SMILES for 1-(1H-imidazol-2-yl)-N-(isoquinolin-6-ylmethyl)ethanamine is CC(NCc1ccc2cnccc2c1)c1ncc[nH]1.
What is the InChIKey of 1-(1H-imidazol-2-yl)-N-(isoquinolin-6-ylmethyl)ethanamine?
The InChIKey is XVSYNVPBFHAFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-11(15-17-6-7-18-15)19-9-12-2-3-14-10-16-5-4-13(14)8-12/h2-8,10-11,19H,9H2,1H3,(H,17,18).
What are the key properties of 1-(1H-imidazol-2-yl)-N-(isoquinolin-6-ylmethyl)ethanamine?
1-(1H-imidazol-2-yl)-N-(isoquinolin-6-ylmethyl)ethanamine has a molecular weight of 252.32 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-yl)-N-(isoquinolin-6-ylmethyl)ethanamine is sourced from PubChem (CID 107038994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).