(6,6-dimethyl-4-quinolin-2-ylmorpholin-2-yl)methanamine

C16H21N3O — CID 114782247

IUPAC(6,6-dimethyl-4-quinolin-2-ylmorpholin-2-yl)methanamine
SMILESCC1(C)CN(c2ccc3ccccc3n2)CC(CN)O1
InChIInChI=1S/C16H21N3O/c1-16(2)11-19(10-13(9-17)20-16)15-8-7-12-5-3-4-6-14(12)18-15/h3-8,13H,9-11,17H2,1-2H3
InChIKeyHTSAMFCQIMJPED-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.18
Rot. Bonds2

About (6,6-dimethyl-4-quinolin-2-ylmorpholin-2-yl)methanamine

(6,6-dimethyl-4-quinolin-2-ylmorpholin-2-yl)methanamine (PubChem CID 114782247) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is (6,6-dimethyl-4-quinolin-2-ylmorpholin-2-yl)methanamine.

Molecular Properties

Compound Name(6,6-dimethyl-4-quinolin-2-ylmorpholin-2-yl)methanamine
PubChem CID114782247
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name(6,6-dimethyl-4-quinolin-2-ylmorpholin-2-yl)methanamine
SMILESCC1(C)CN(c2ccc3ccccc3n2)CC(CN)O1
InChIInChI=1S/C16H21N3O/c1-16(2)11-19(10-13(9-17)20-16)15-8-7-12-5-3-4-6-14(12)18-15/h3-8,13H,9-11,17H2,1-2H3
InChIKeyHTSAMFCQIMJPED-UHFFFAOYSA-N
XLogP2.18
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6,6-dimethyl-4-quinolin-2-ylmorpholin-2-yl)methanamine?
The IUPAC name of (6,6-dimethyl-4-quinolin-2-ylmorpholin-2-yl)methanamine (CID 114782247) is (6,6-dimethyl-4-quinolin-2-ylmorpholin-2-yl)methanamine.
What is the SMILES notation for (6,6-dimethyl-4-quinolin-2-ylmorpholin-2-yl)methanamine?
The canonical SMILES for (6,6-dimethyl-4-quinolin-2-ylmorpholin-2-yl)methanamine is CC1(C)CN(c2ccc3ccccc3n2)CC(CN)O1.
What is the InChIKey of (6,6-dimethyl-4-quinolin-2-ylmorpholin-2-yl)methanamine?
The InChIKey is HTSAMFCQIMJPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-16(2)11-19(10-13(9-17)20-16)15-8-7-12-5-3-4-6-14(12)18-15/h3-8,13H,9-11,17H2,1-2H3.
What are the key properties of (6,6-dimethyl-4-quinolin-2-ylmorpholin-2-yl)methanamine?
(6,6-dimethyl-4-quinolin-2-ylmorpholin-2-yl)methanamine has a molecular weight of 271.36 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6,6-dimethyl-4-quinolin-2-ylmorpholin-2-yl)methanamine is sourced from PubChem (CID 114782247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).