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

C12H19N3O — CID 62207578

IUPAC5-[(3,3-dimethylmorpholin-4-yl)methyl]pyridin-2-amine
SMILESCC1(C)COCCN1Cc1ccc(N)nc1
InChIInChI=1S/C12H19N3O/c1-12(2)9-16-6-5-15(12)8-10-3-4-11(13)14-7-10/h3-4,7H,5-6,8-9H2,1-2H3,(H2,13,14)
InChIKeyMJUFZFOMFUAOOK-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.27
Rot. Bonds2

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

5-[(3,3-dimethylmorpholin-4-yl)methyl]pyridin-2-amine (PubChem CID 62207578) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 5-[(3,3-dimethylmorpholin-4-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[(3,3-dimethylmorpholin-4-yl)methyl]pyridin-2-amine
PubChem CID62207578
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name5-[(3,3-dimethylmorpholin-4-yl)methyl]pyridin-2-amine
SMILESCC1(C)COCCN1Cc1ccc(N)nc1
InChIInChI=1S/C12H19N3O/c1-12(2)9-16-6-5-15(12)8-10-3-4-11(13)14-7-10/h3-4,7H,5-6,8-9H2,1-2H3,(H2,13,14)
InChIKeyMJUFZFOMFUAOOK-UHFFFAOYSA-N
XLogP1.27
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,3-dimethylmorpholin-4-yl)methyl]pyridin-2-amine?
The IUPAC name of 5-[(3,3-dimethylmorpholin-4-yl)methyl]pyridin-2-amine (CID 62207578) is 5-[(3,3-dimethylmorpholin-4-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-[(3,3-dimethylmorpholin-4-yl)methyl]pyridin-2-amine?
The canonical SMILES for 5-[(3,3-dimethylmorpholin-4-yl)methyl]pyridin-2-amine is CC1(C)COCCN1Cc1ccc(N)nc1.
What is the InChIKey of 5-[(3,3-dimethylmorpholin-4-yl)methyl]pyridin-2-amine?
The InChIKey is MJUFZFOMFUAOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-12(2)9-16-6-5-15(12)8-10-3-4-11(13)14-7-10/h3-4,7H,5-6,8-9H2,1-2H3,(H2,13,14).
What are the key properties of 5-[(3,3-dimethylmorpholin-4-yl)methyl]pyridin-2-amine?
5-[(3,3-dimethylmorpholin-4-yl)methyl]pyridin-2-amine has a molecular weight of 221.30 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,3-dimethylmorpholin-4-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 62207578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).