3,5-dimethyl-2-[(3-methylmorpholin-4-yl)methyl]pyridin-4-amine

C13H21N3O — CID 103182041

IUPAC3,5-dimethyl-2-[(3-methylmorpholin-4-yl)methyl]pyridin-4-amine
SMILESCc1cnc(CN2CCOCC2C)c(C)c1N
InChIInChI=1S/C13H21N3O/c1-9-6-15-12(11(3)13(9)14)7-16-4-5-17-8-10(16)2/h6,10H,4-5,7-8H2,1-3H3,(H2,14,15)
InChIKeySFDILNLKHVRSPB-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.50
Rot. Bonds2

About 3,5-dimethyl-2-[(3-methylmorpholin-4-yl)methyl]pyridin-4-amine

3,5-dimethyl-2-[(3-methylmorpholin-4-yl)methyl]pyridin-4-amine (PubChem CID 103182041) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3,5-dimethyl-2-[(3-methylmorpholin-4-yl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name3,5-dimethyl-2-[(3-methylmorpholin-4-yl)methyl]pyridin-4-amine
PubChem CID103182041
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3,5-dimethyl-2-[(3-methylmorpholin-4-yl)methyl]pyridin-4-amine
SMILESCc1cnc(CN2CCOCC2C)c(C)c1N
InChIInChI=1S/C13H21N3O/c1-9-6-15-12(11(3)13(9)14)7-16-4-5-17-8-10(16)2/h6,10H,4-5,7-8H2,1-3H3,(H2,14,15)
InChIKeySFDILNLKHVRSPB-UHFFFAOYSA-N
XLogP1.50
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-[(3-methylmorpholin-4-yl)methyl]pyridin-4-amine?
The IUPAC name of 3,5-dimethyl-2-[(3-methylmorpholin-4-yl)methyl]pyridin-4-amine (CID 103182041) is 3,5-dimethyl-2-[(3-methylmorpholin-4-yl)methyl]pyridin-4-amine.
What is the SMILES notation for 3,5-dimethyl-2-[(3-methylmorpholin-4-yl)methyl]pyridin-4-amine?
The canonical SMILES for 3,5-dimethyl-2-[(3-methylmorpholin-4-yl)methyl]pyridin-4-amine is Cc1cnc(CN2CCOCC2C)c(C)c1N.
What is the InChIKey of 3,5-dimethyl-2-[(3-methylmorpholin-4-yl)methyl]pyridin-4-amine?
The InChIKey is SFDILNLKHVRSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9-6-15-12(11(3)13(9)14)7-16-4-5-17-8-10(16)2/h6,10H,4-5,7-8H2,1-3H3,(H2,14,15).
What are the key properties of 3,5-dimethyl-2-[(3-methylmorpholin-4-yl)methyl]pyridin-4-amine?
3,5-dimethyl-2-[(3-methylmorpholin-4-yl)methyl]pyridin-4-amine has a molecular weight of 235.33 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-[(3-methylmorpholin-4-yl)methyl]pyridin-4-amine is sourced from PubChem (CID 103182041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).