6-(5,5-dimethyl-1,3-dioxan-2-yl)quinolin-2-amine

C15H18N2O2 — CID 10400290

IUPAC6-(5,5-dimethyl-1,3-dioxan-2-yl)quinolin-2-amine
SMILESCC1(C)COC(c2ccc3nc(N)ccc3c2)OC1
InChIInChI=1S/C15H18N2O2/c1-15(2)8-18-14(19-9-15)11-3-5-12-10(7-11)4-6-13(16)17-12/h3-7,14H,8-9H2,1-2H3,(H2,16,17)
InChIKeyYTTUGTKDPVBCDZ-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.89
Rot. Bonds1

About 6-(5,5-dimethyl-1,3-dioxan-2-yl)quinolin-2-amine

6-(5,5-dimethyl-1,3-dioxan-2-yl)quinolin-2-amine (PubChem CID 10400290) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 6-(5,5-dimethyl-1,3-dioxan-2-yl)quinolin-2-amine.

Molecular Properties

Compound Name6-(5,5-dimethyl-1,3-dioxan-2-yl)quinolin-2-amine
PubChem CID10400290
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name6-(5,5-dimethyl-1,3-dioxan-2-yl)quinolin-2-amine
SMILESCC1(C)COC(c2ccc3nc(N)ccc3c2)OC1
InChIInChI=1S/C15H18N2O2/c1-15(2)8-18-14(19-9-15)11-3-5-12-10(7-11)4-6-13(16)17-12/h3-7,14H,8-9H2,1-2H3,(H2,16,17)
InChIKeyYTTUGTKDPVBCDZ-UHFFFAOYSA-N
XLogP2.89
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[1,3]Dioxan-2-yl-quinolin-2-ylamine
CID 11195579
6-[1,3]Dioxolan-2-yl-quinolin-2-ylamine
CID 11287377
3-(1,3-Dioxolan-2-yl)-2-hydrazino-7-methylquinoline
CID 90934271
[3-(1,3-Dioxolan-2-yl)-8-methylquinolin-2-yl]hydrazine
CID 139218746
3-(2,2,2-Trifluoroethoxymethyl)quinolin-2-amine
CID 62193317
3-[(2-Fluorophenyl)methoxymethyl]quinolin-2-amine
CID 63937172
3-(1,1,1-Trifluoropropan-2-yloxymethyl)quinolin-2-amine
CID 66277249
3-(2,2-Difluoroethoxymethyl)quinolin-2-amine
CID 82007215
3-(4,4,4-Trifluorobutoxymethyl)quinolin-2-amine
CID 82792969
3-(3,3,3-Trifluoropropoxymethyl)quinolin-2-amine
CID 82957817
5-(1,3-Dioxan-2-yl)quinolin-2-amine
CID 11195580
7-(1,3-Dioxan-2-yl)quinolin-2-amine
CID 11195581

Frequently Asked Questions

What is the IUPAC name of 6-(5,5-dimethyl-1,3-dioxan-2-yl)quinolin-2-amine?
The IUPAC name of 6-(5,5-dimethyl-1,3-dioxan-2-yl)quinolin-2-amine (CID 10400290) is 6-(5,5-dimethyl-1,3-dioxan-2-yl)quinolin-2-amine.
What is the SMILES notation for 6-(5,5-dimethyl-1,3-dioxan-2-yl)quinolin-2-amine?
The canonical SMILES for 6-(5,5-dimethyl-1,3-dioxan-2-yl)quinolin-2-amine is CC1(C)COC(c2ccc3nc(N)ccc3c2)OC1.
What is the InChIKey of 6-(5,5-dimethyl-1,3-dioxan-2-yl)quinolin-2-amine?
The InChIKey is YTTUGTKDPVBCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-15(2)8-18-14(19-9-15)11-3-5-12-10(7-11)4-6-13(16)17-12/h3-7,14H,8-9H2,1-2H3,(H2,16,17).
What are the key properties of 6-(5,5-dimethyl-1,3-dioxan-2-yl)quinolin-2-amine?
6-(5,5-dimethyl-1,3-dioxan-2-yl)quinolin-2-amine has a molecular weight of 258.32 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5,5-dimethyl-1,3-dioxan-2-yl)quinolin-2-amine is sourced from PubChem (CID 10400290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).