N-[oxan-3-yl(quinolin-6-yl)methyl]ethanamine

C17H22N2O — CID 81231200

IUPACN-[oxan-3-yl(quinolin-6-yl)methyl]ethanamine
SMILESCCNC(c1ccc2ncccc2c1)C1CCCOC1
InChIInChI=1S/C17H22N2O/c1-2-18-17(15-6-4-10-20-12-15)14-7-8-16-13(11-14)5-3-9-19-16/h3,5,7-9,11,15,17-18H,2,4,6,10,12H2,1H3
InChIKeyABJZNSKVMZPTPV-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.31
Rot. Bonds4

About N-[oxan-3-yl(quinolin-6-yl)methyl]ethanamine

N-[oxan-3-yl(quinolin-6-yl)methyl]ethanamine (PubChem CID 81231200) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[oxan-3-yl(quinolin-6-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[oxan-3-yl(quinolin-6-yl)methyl]ethanamine
PubChem CID81231200
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[oxan-3-yl(quinolin-6-yl)methyl]ethanamine
SMILESCCNC(c1ccc2ncccc2c1)C1CCCOC1
InChIInChI=1S/C17H22N2O/c1-2-18-17(15-6-4-10-20-12-15)14-7-8-16-13(11-14)5-3-9-19-16/h3,5,7-9,11,15,17-18H,2,4,6,10,12H2,1H3
InChIKeyABJZNSKVMZPTPV-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

oxan-3-yl(quinolin-6-yl)methanol
CID 81215748
N-[oxan-3-yl(quinoxalin-6-yl)methyl]propan-1-amine
CID 107136382
N-[cyclohexyl(quinolin-6-yl)methyl]propan-1-amine
CID 63095807
N-[(3-methylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 65331704
N-[naphthalen-2-yl(oxan-3-yl)methyl]propan-1-amine
CID 65332373
N-[(4-fluoro-3-methylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 65331655
N-[7-oxabicyclo[2.2.1]heptan-2-yl(quinolin-6-yl)methyl]ethanamine
CID 81228401
N-[1,4-dioxan-2-yl(quinolin-7-yl)methyl]ethanamine
CID 114286912
[cyclopentyl(quinolin-6-yl)methyl]hydrazine
CID 105204471
N-[(4-methylmorpholin-2-yl)-quinolin-6-ylmethyl]ethanamine
CID 81229498
N-[oxan-3-yl-[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 65332476
N-[(4-cyclobutylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 116506203

Frequently Asked Questions

What is the IUPAC name of N-[oxan-3-yl(quinolin-6-yl)methyl]ethanamine?
The IUPAC name of N-[oxan-3-yl(quinolin-6-yl)methyl]ethanamine (CID 81231200) is N-[oxan-3-yl(quinolin-6-yl)methyl]ethanamine.
What is the SMILES notation for N-[oxan-3-yl(quinolin-6-yl)methyl]ethanamine?
The canonical SMILES for N-[oxan-3-yl(quinolin-6-yl)methyl]ethanamine is CCNC(c1ccc2ncccc2c1)C1CCCOC1.
What is the InChIKey of N-[oxan-3-yl(quinolin-6-yl)methyl]ethanamine?
The InChIKey is ABJZNSKVMZPTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-2-18-17(15-6-4-10-20-12-15)14-7-8-16-13(11-14)5-3-9-19-16/h3,5,7-9,11,15,17-18H,2,4,6,10,12H2,1H3.
What are the key properties of N-[oxan-3-yl(quinolin-6-yl)methyl]ethanamine?
N-[oxan-3-yl(quinolin-6-yl)methyl]ethanamine has a molecular weight of 270.38 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[oxan-3-yl(quinolin-6-yl)methyl]ethanamine is sourced from PubChem (CID 81231200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).