3-[methylamino-(4-methylmorpholin-2-yl)methyl]pyridin-2-amine

C12H20N4O — CID 79093449

IUPAC3-[methylamino-(4-methylmorpholin-2-yl)methyl]pyridin-2-amine
SMILESCNC(c1cccnc1N)C1CN(C)CCO1
InChIInChI=1S/C12H20N4O/c1-14-11(9-4-3-5-15-12(9)13)10-8-16(2)6-7-17-10/h3-5,10-11,14H,6-8H2,1-2H3,(H2,13,15)
InChIKeyQDNBVVDQGVXAJP-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.25
Rot. Bonds3

About 3-[methylamino-(4-methylmorpholin-2-yl)methyl]pyridin-2-amine

3-[methylamino-(4-methylmorpholin-2-yl)methyl]pyridin-2-amine (PubChem CID 79093449) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-[methylamino-(4-methylmorpholin-2-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[methylamino-(4-methylmorpholin-2-yl)methyl]pyridin-2-amine
PubChem CID79093449
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name3-[methylamino-(4-methylmorpholin-2-yl)methyl]pyridin-2-amine
SMILESCNC(c1cccnc1N)C1CN(C)CCO1
InChIInChI=1S/C12H20N4O/c1-14-11(9-4-3-5-15-12(9)13)10-8-16(2)6-7-17-10/h3-5,10-11,14H,6-8H2,1-2H3,(H2,13,15)
InChIKeyQDNBVVDQGVXAJP-UHFFFAOYSA-N
XLogP0.25
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[methylamino-(4-methylmorpholin-2-yl)methyl]pyridin-2-amine?
The IUPAC name of 3-[methylamino-(4-methylmorpholin-2-yl)methyl]pyridin-2-amine (CID 79093449) is 3-[methylamino-(4-methylmorpholin-2-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 3-[methylamino-(4-methylmorpholin-2-yl)methyl]pyridin-2-amine?
The canonical SMILES for 3-[methylamino-(4-methylmorpholin-2-yl)methyl]pyridin-2-amine is CNC(c1cccnc1N)C1CN(C)CCO1.
What is the InChIKey of 3-[methylamino-(4-methylmorpholin-2-yl)methyl]pyridin-2-amine?
The InChIKey is QDNBVVDQGVXAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-14-11(9-4-3-5-15-12(9)13)10-8-16(2)6-7-17-10/h3-5,10-11,14H,6-8H2,1-2H3,(H2,13,15).
What are the key properties of 3-[methylamino-(4-methylmorpholin-2-yl)methyl]pyridin-2-amine?
3-[methylamino-(4-methylmorpholin-2-yl)methyl]pyridin-2-amine has a molecular weight of 236.32 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methylamino-(4-methylmorpholin-2-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 79093449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).