N-[1H-imidazol-2-yl(quinolin-8-yl)methyl]ethanamine

C15H16N4 — CID 81231091

IUPACN-[1H-imidazol-2-yl(quinolin-8-yl)methyl]ethanamine
SMILESCCNC(c1ncc[nH]1)c1cccc2cccnc12
InChIInChI=1S/C15H16N4/c1-2-16-14(15-18-9-10-19-15)12-7-3-5-11-6-4-8-17-13(11)12/h3-10,14,16H,2H2,1H3,(H,18,19)
InChIKeyDTRIASJSAQFWMD-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.66
Rot. Bonds4

About N-[1H-imidazol-2-yl(quinolin-8-yl)methyl]ethanamine

N-[1H-imidazol-2-yl(quinolin-8-yl)methyl]ethanamine (PubChem CID 81231091) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-[1H-imidazol-2-yl(quinolin-8-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[1H-imidazol-2-yl(quinolin-8-yl)methyl]ethanamine
PubChem CID81231091
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC NameN-[1H-imidazol-2-yl(quinolin-8-yl)methyl]ethanamine
SMILESCCNC(c1ncc[nH]1)c1cccc2cccnc12
InChIInChI=1S/C15H16N4/c1-2-16-14(15-18-9-10-19-15)12-7-3-5-11-6-4-8-17-13(11)12/h3-10,14,16H,2H2,1H3,(H,18,19)
InChIKeyDTRIASJSAQFWMD-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2,2-dimethyl-1-quinolin-8-ylbutan-1-amine
CID 105021242
N-[(5-iodothiophen-3-yl)-quinolin-8-ylmethyl]ethanamine
CID 105021278
N-[(3-fluoro-4-pyridinyl)-(1H-imidazol-2-yl)methyl]ethanamine
CID 104738570
N-[1H-imidazol-2-yl-[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 102754769
N-ethyl-3-methyl-1-quinolin-8-ylbut-3-en-1-amine
CID 105163061
N,2-dimethyl-3-quinolin-8-ylbutan-1-amine
CID 81222761
N-[(4-bromo-3-chloro-2-fluorophenyl)-(1H-imidazol-2-yl)methyl]ethanamine
CID 106762810
N-[pyridin-3-yl(quinolin-8-yl)methyl]propan-1-amine
CID 81209832
N-[furan-3-yl(quinolin-8-yl)methyl]propan-1-amine
CID 81231183
N-[6-bicyclo[3.1.0]hexanyl(quinolin-8-yl)methyl]ethanamine
CID 105021311
[quinolin-8-yl(1H-1,2,4-triazol-5-yl)methyl]hydrazine
CID 105230361
N-methyl-1-(2-methyl-3-pyridinyl)-1-quinolin-8-ylmethanamine
CID 105172443

Frequently Asked Questions

What is the IUPAC name of N-[1H-imidazol-2-yl(quinolin-8-yl)methyl]ethanamine?
The IUPAC name of N-[1H-imidazol-2-yl(quinolin-8-yl)methyl]ethanamine (CID 81231091) is N-[1H-imidazol-2-yl(quinolin-8-yl)methyl]ethanamine.
What is the SMILES notation for N-[1H-imidazol-2-yl(quinolin-8-yl)methyl]ethanamine?
The canonical SMILES for N-[1H-imidazol-2-yl(quinolin-8-yl)methyl]ethanamine is CCNC(c1ncc[nH]1)c1cccc2cccnc12.
What is the InChIKey of N-[1H-imidazol-2-yl(quinolin-8-yl)methyl]ethanamine?
The InChIKey is DTRIASJSAQFWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-2-16-14(15-18-9-10-19-15)12-7-3-5-11-6-4-8-17-13(11)12/h3-10,14,16H,2H2,1H3,(H,18,19).
What are the key properties of N-[1H-imidazol-2-yl(quinolin-8-yl)methyl]ethanamine?
N-[1H-imidazol-2-yl(quinolin-8-yl)methyl]ethanamine has a molecular weight of 252.32 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1H-imidazol-2-yl(quinolin-8-yl)methyl]ethanamine is sourced from PubChem (CID 81231091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).