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

C16H20N2O2 — CID 114286912

IUPACN-[1,4-dioxan-2-yl(quinolin-7-yl)methyl]ethanamine
SMILESCCNC(c1ccc2cccnc2c1)C1COCCO1
InChIInChI=1S/C16H20N2O2/c1-2-17-16(15-11-19-8-9-20-15)13-6-5-12-4-3-7-18-14(12)10-13/h3-7,10,15-17H,2,8-9,11H2,1H3
InChIKeyNGIWDRCXFRSCFA-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.30
Rot. Bonds4

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

N-[1,4-dioxan-2-yl(quinolin-7-yl)methyl]ethanamine (PubChem CID 114286912) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[1,4-dioxan-2-yl(quinolin-7-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[1,4-dioxan-2-yl(quinolin-7-yl)methyl]ethanamine
PubChem CID114286912
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[1,4-dioxan-2-yl(quinolin-7-yl)methyl]ethanamine
SMILESCCNC(c1ccc2cccnc2c1)C1COCCO1
InChIInChI=1S/C16H20N2O2/c1-2-17-16(15-11-19-8-9-20-15)13-6-5-12-4-3-7-18-14(12)10-13/h3-7,10,15-17H,2,8-9,11H2,1H3
InChIKeyNGIWDRCXFRSCFA-UHFFFAOYSA-N
XLogP2.30
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1,4-dioxan-2-yl(quinolin-7-yl)methyl]propan-1-amine
CID 114286917
N-[(2-methylcyclopropyl)-quinolin-7-ylmethyl]ethanamine
CID 81231204
N-[(4-chlorophenyl)-(1,4-dioxan-2-yl)methyl]ethanamine
CID 62798500
N-[(4-methylmorpholin-2-yl)-quinolin-6-ylmethyl]ethanamine
CID 81229498
N-[(3-methylcyclopentyl)-quinolin-7-ylmethyl]ethanamine
CID 81231066
N-[1,4-dioxan-2-yl-(4-ethoxyphenyl)methyl]ethanamine
CID 62798503
N-[oxan-3-yl(quinolin-6-yl)methyl]ethanamine
CID 81231200
N-[quinolin-7-yl(thiolan-2-yl)methyl]ethanamine
CID 81224734
N-ethyl-1-quinolin-7-ylethanamine
CID 81221005
N-[(3-chloro-4-methoxyphenyl)-(1,4-dioxan-2-yl)methyl]ethanamine
CID 62800281
N-[1,4-dioxan-2-yl(isoquinolin-5-yl)methyl]ethanamine
CID 65352590
N-methyl-1-(1,4-oxathian-2-yl)-1-quinolin-7-ylmethanamine
CID 81231155

Frequently Asked Questions

What is the IUPAC name of N-[1,4-dioxan-2-yl(quinolin-7-yl)methyl]ethanamine?
The IUPAC name of N-[1,4-dioxan-2-yl(quinolin-7-yl)methyl]ethanamine (CID 114286912) is N-[1,4-dioxan-2-yl(quinolin-7-yl)methyl]ethanamine.
What is the SMILES notation for N-[1,4-dioxan-2-yl(quinolin-7-yl)methyl]ethanamine?
The canonical SMILES for N-[1,4-dioxan-2-yl(quinolin-7-yl)methyl]ethanamine is CCNC(c1ccc2cccnc2c1)C1COCCO1.
What is the InChIKey of N-[1,4-dioxan-2-yl(quinolin-7-yl)methyl]ethanamine?
The InChIKey is NGIWDRCXFRSCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-2-17-16(15-11-19-8-9-20-15)13-6-5-12-4-3-7-18-14(12)10-13/h3-7,10,15-17H,2,8-9,11H2,1H3.
What are the key properties of N-[1,4-dioxan-2-yl(quinolin-7-yl)methyl]ethanamine?
N-[1,4-dioxan-2-yl(quinolin-7-yl)methyl]ethanamine has a molecular weight of 272.35 g/mol, XLogP of 2.30, 4 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]ethanamine is sourced from PubChem (CID 114286912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).