1,4-dioxan-2-yl(isoquinolin-5-yl)methanamine

C14H16N2O2 — CID 65352259

IUPAC1,4-dioxan-2-yl(isoquinolin-5-yl)methanamine
SMILESNC(c1cccc2cnccc12)C1COCCO1
InChIInChI=1S/C14H16N2O2/c15-14(13-9-17-6-7-18-13)12-3-1-2-10-8-16-5-4-11(10)12/h1-5,8,13-14H,6-7,9,15H2
InChIKeyJWRAXZSBYVAVJP-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.65
Rot. Bonds2

About 1,4-dioxan-2-yl(isoquinolin-5-yl)methanamine

1,4-dioxan-2-yl(isoquinolin-5-yl)methanamine (PubChem CID 65352259) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1,4-dioxan-2-yl(isoquinolin-5-yl)methanamine.

Molecular Properties

Compound Name1,4-dioxan-2-yl(isoquinolin-5-yl)methanamine
PubChem CID65352259
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name1,4-dioxan-2-yl(isoquinolin-5-yl)methanamine
SMILESNC(c1cccc2cnccc12)C1COCCO1
InChIInChI=1S/C14H16N2O2/c15-14(13-9-17-6-7-18-13)12-3-1-2-10-8-16-5-4-11(10)12/h1-5,8,13-14H,6-7,9,15H2
InChIKeyJWRAXZSBYVAVJP-UHFFFAOYSA-N
XLogP1.65
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-dioxan-2-yl(isoquinolin-5-yl)methanol
CID 65350917
N-[1,4-dioxan-2-yl(isoquinolin-5-yl)methyl]ethanamine
CID 65352590
isoquinolin-5-yl-(4-methylmorpholin-2-yl)methanamine
CID 79092758
(4-ethylmorpholin-2-yl)-isoquinolin-5-ylmethanamine
CID 79666525
isoquinolin-5-yl-(3-methyloxolan-2-yl)methanamine
CID 115853236
isoquinolin-5-yl-(4-propan-2-ylcyclohexyl)methanamine
CID 65425147
[isoquinolin-5-yl(oxolan-3-yl)methyl]hydrazine
CID 105229453
[isoquinolin-5-yl(oxolan-2-yl)methyl]hydrazine
CID 105229147
1,2-dihydroacenaphthylen-5-yl(1,4-dioxan-2-yl)methanamine
CID 114939165
(4-bromonaphthalen-1-yl)-(1,4-dioxan-2-yl)methanamine
CID 79597276
[1,4-dioxan-2-yl(naphthalen-1-yl)methyl]hydrazine
CID 105301200
1-isoquinolin-5-yl-3-(oxolan-2-yl)propan-1-amine
CID 115853074

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxan-2-yl(isoquinolin-5-yl)methanamine?
The IUPAC name of 1,4-dioxan-2-yl(isoquinolin-5-yl)methanamine (CID 65352259) is 1,4-dioxan-2-yl(isoquinolin-5-yl)methanamine.
What is the SMILES notation for 1,4-dioxan-2-yl(isoquinolin-5-yl)methanamine?
The canonical SMILES for 1,4-dioxan-2-yl(isoquinolin-5-yl)methanamine is NC(c1cccc2cnccc12)C1COCCO1.
What is the InChIKey of 1,4-dioxan-2-yl(isoquinolin-5-yl)methanamine?
The InChIKey is JWRAXZSBYVAVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c15-14(13-9-17-6-7-18-13)12-3-1-2-10-8-16-5-4-11(10)12/h1-5,8,13-14H,6-7,9,15H2.
What are the key properties of 1,4-dioxan-2-yl(isoquinolin-5-yl)methanamine?
1,4-dioxan-2-yl(isoquinolin-5-yl)methanamine has a molecular weight of 244.29 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxan-2-yl(isoquinolin-5-yl)methanamine is sourced from PubChem (CID 65352259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).