N-[1,4-dioxan-2-yl(quinolin-7-yl)methyl]propan-1-amine

C17H22N2O2 — CID 114286917

IUPACN-[1,4-dioxan-2-yl(quinolin-7-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc2cccnc2c1)C1COCCO1
InChIInChI=1S/C17H22N2O2/c1-2-7-19-17(16-12-20-9-10-21-16)14-6-5-13-4-3-8-18-15(13)11-14/h3-6,8,11,16-17,19H,2,7,9-10,12H2,1H3
InChIKeyXMBYEMLXFHEAIA-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.69
Rot. Bonds5

About N-[1,4-dioxan-2-yl(quinolin-7-yl)methyl]propan-1-amine

N-[1,4-dioxan-2-yl(quinolin-7-yl)methyl]propan-1-amine (PubChem CID 114286917) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is N-[1,4-dioxan-2-yl(quinolin-7-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[1,4-dioxan-2-yl(quinolin-7-yl)methyl]propan-1-amine
PubChem CID114286917
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC NameN-[1,4-dioxan-2-yl(quinolin-7-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc2cccnc2c1)C1COCCO1
InChIInChI=1S/C17H22N2O2/c1-2-7-19-17(16-12-20-9-10-21-16)14-6-5-13-4-3-8-18-15(13)11-14/h3-6,8,11,16-17,19H,2,7,9-10,12H2,1H3
InChIKeyXMBYEMLXFHEAIA-UHFFFAOYSA-N
XLogP2.69
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1,4-dioxan-2-yl(quinolin-7-yl)methyl]ethanamine
CID 114286912
N-[1,4-dioxan-2-yl-(3-methylphenyl)methyl]propan-1-amine
CID 65352691
N-[1,4-dioxan-2-yl-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propan-1-amine
CID 62805438
N-[(3-bromo-4-fluorophenyl)-(1,4-dioxan-2-yl)methyl]propan-1-amine
CID 79747032
N-[1-benzofuran-2-yl(1,4-dioxan-2-yl)methyl]propan-1-amine
CID 105044189
N-[1,4-dioxan-2-yl-[4-(2-methylpropyl)phenyl]methyl]propan-1-amine
CID 62805613
N-[(3-cyclopropyloxyphenyl)-(1,4-dioxan-2-yl)methyl]propan-1-amine
CID 105051921
N-(2-cyclopropyl-1-quinolin-7-ylethyl)propan-1-amine
CID 81232087
2-methyl-N-propyl-1-quinolin-7-ylpropan-1-amine
CID 81220696
2-cyclopropyl-N-propyl-1-quinolin-7-ylpropan-1-amine
CID 105021677
N-[furan-2-yl(quinolin-7-yl)methyl]propan-1-amine
CID 81231383
N-[(2,6-difluorophenyl)-(1,4-dioxan-2-yl)methyl]propan-1-amine
CID 65352954

Frequently Asked Questions

What is the IUPAC name of N-[1,4-dioxan-2-yl(quinolin-7-yl)methyl]propan-1-amine?
The IUPAC name of N-[1,4-dioxan-2-yl(quinolin-7-yl)methyl]propan-1-amine (CID 114286917) is N-[1,4-dioxan-2-yl(quinolin-7-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[1,4-dioxan-2-yl(quinolin-7-yl)methyl]propan-1-amine?
The canonical SMILES for N-[1,4-dioxan-2-yl(quinolin-7-yl)methyl]propan-1-amine is CCCNC(c1ccc2cccnc2c1)C1COCCO1.
What is the InChIKey of N-[1,4-dioxan-2-yl(quinolin-7-yl)methyl]propan-1-amine?
The InChIKey is XMBYEMLXFHEAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-2-7-19-17(16-12-20-9-10-21-16)14-6-5-13-4-3-8-18-15(13)11-14/h3-6,8,11,16-17,19H,2,7,9-10,12H2,1H3.
What are the key properties of N-[1,4-dioxan-2-yl(quinolin-7-yl)methyl]propan-1-amine?
N-[1,4-dioxan-2-yl(quinolin-7-yl)methyl]propan-1-amine has a molecular weight of 286.37 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,4-dioxan-2-yl(quinolin-7-yl)methyl]propan-1-amine is sourced from PubChem (CID 114286917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).