1-(oxan-4-yl)-N-(quinolin-6-ylmethyl)ethanamine

C17H22N2O — CID 103769027

IUPAC1-(oxan-4-yl)-N-(quinolin-6-ylmethyl)ethanamine
SMILESCC(NCc1ccc2ncccc2c1)C1CCOCC1
InChIInChI=1S/C17H22N2O/c1-13(15-6-9-20-10-7-15)19-12-14-4-5-17-16(11-14)3-2-8-18-17/h2-5,8,11,13,15,19H,6-7,9-10,12H2,1H3
InChIKeyVTJABJZXLZFARW-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.14
Rot. Bonds4

About 1-(oxan-4-yl)-N-(quinolin-6-ylmethyl)ethanamine

1-(oxan-4-yl)-N-(quinolin-6-ylmethyl)ethanamine (PubChem CID 103769027) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-(oxan-4-yl)-N-(quinolin-6-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(oxan-4-yl)-N-(quinolin-6-ylmethyl)ethanamine
PubChem CID103769027
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-(oxan-4-yl)-N-(quinolin-6-ylmethyl)ethanamine
SMILESCC(NCc1ccc2ncccc2c1)C1CCOCC1
InChIInChI=1S/C17H22N2O/c1-13(15-6-9-20-10-7-15)19-12-14-4-5-17-16(11-14)3-2-8-18-17/h2-5,8,11,13,15,19H,6-7,9-10,12H2,1H3
InChIKeyVTJABJZXLZFARW-UHFFFAOYSA-N
XLogP3.14
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-cycloheptyl-N-(quinolin-6-ylmethyl)ethanamine
CID 81388844
N-[(4-ethylphenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103769025
N-[(3-fluorophenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103769024
cyclobutane;N-(quinolin-6-ylmethyl)but-3-yn-2-amine
CID 143817752
N-[(4-chloro-3-fluorophenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103769034
4-methoxy-N-(quinolin-6-ylmethyl)butan-2-amine
CID 62733913
2,2-dimethyl-N-(quinolin-6-ylmethyl)cyclopropan-1-amine
CID 61222294
N-[(2-methylpyrimidin-4-yl)methyl]-1-(oxan-4-yl)ethanamine
CID 113260324
(1S)-1-(4-bromophenyl)-N-(quinolin-6-ylmethyl)ethanamine
CID 81356181
N-tert-butyl-2-(quinolin-6-ylmethylamino)propanamide
CID 115595956
N-propyl-2-(quinolin-6-ylmethylamino)propanamide
CID 60659073
N,N-dimethyl-2-(quinolin-6-ylmethylamino)propanamide
CID 61464425

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-N-(quinolin-6-ylmethyl)ethanamine?
The IUPAC name of 1-(oxan-4-yl)-N-(quinolin-6-ylmethyl)ethanamine (CID 103769027) is 1-(oxan-4-yl)-N-(quinolin-6-ylmethyl)ethanamine.
What is the SMILES notation for 1-(oxan-4-yl)-N-(quinolin-6-ylmethyl)ethanamine?
The canonical SMILES for 1-(oxan-4-yl)-N-(quinolin-6-ylmethyl)ethanamine is CC(NCc1ccc2ncccc2c1)C1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)-N-(quinolin-6-ylmethyl)ethanamine?
The InChIKey is VTJABJZXLZFARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-13(15-6-9-20-10-7-15)19-12-14-4-5-17-16(11-14)3-2-8-18-17/h2-5,8,11,13,15,19H,6-7,9-10,12H2,1H3.
What are the key properties of 1-(oxan-4-yl)-N-(quinolin-6-ylmethyl)ethanamine?
1-(oxan-4-yl)-N-(quinolin-6-ylmethyl)ethanamine has a molecular weight of 270.38 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-N-(quinolin-6-ylmethyl)ethanamine is sourced from PubChem (CID 103769027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).