6-[(3,3-dimethylmorpholin-4-yl)methyl]-N-propylpyridin-2-amine

C15H25N3O — CID 79242954

IUPAC6-[(3,3-dimethylmorpholin-4-yl)methyl]-N-propylpyridin-2-amine
SMILESCCCNc1cccc(CN2CCOCC2(C)C)n1
InChIInChI=1S/C15H25N3O/c1-4-8-16-14-7-5-6-13(17-14)11-18-9-10-19-12-15(18,2)3/h5-7H,4,8-12H2,1-3H3,(H,16,17)
InChIKeyHNISMMBOWOWMQC-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.51
Rot. Bonds5

About 6-[(3,3-dimethylmorpholin-4-yl)methyl]-N-propylpyridin-2-amine

6-[(3,3-dimethylmorpholin-4-yl)methyl]-N-propylpyridin-2-amine (PubChem CID 79242954) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 6-[(3,3-dimethylmorpholin-4-yl)methyl]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name6-[(3,3-dimethylmorpholin-4-yl)methyl]-N-propylpyridin-2-amine
PubChem CID79242954
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name6-[(3,3-dimethylmorpholin-4-yl)methyl]-N-propylpyridin-2-amine
SMILESCCCNc1cccc(CN2CCOCC2(C)C)n1
InChIInChI=1S/C15H25N3O/c1-4-8-16-14-7-5-6-13(17-14)11-18-9-10-19-12-15(18,2)3/h5-7H,4,8-12H2,1-3H3,(H,16,17)
InChIKeyHNISMMBOWOWMQC-UHFFFAOYSA-N
XLogP2.51
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(3,3-dimethylmorpholin-4-yl)methyl]-N-propylpyridin-2-amine?
The IUPAC name of 6-[(3,3-dimethylmorpholin-4-yl)methyl]-N-propylpyridin-2-amine (CID 79242954) is 6-[(3,3-dimethylmorpholin-4-yl)methyl]-N-propylpyridin-2-amine.
What is the SMILES notation for 6-[(3,3-dimethylmorpholin-4-yl)methyl]-N-propylpyridin-2-amine?
The canonical SMILES for 6-[(3,3-dimethylmorpholin-4-yl)methyl]-N-propylpyridin-2-amine is CCCNc1cccc(CN2CCOCC2(C)C)n1.
What is the InChIKey of 6-[(3,3-dimethylmorpholin-4-yl)methyl]-N-propylpyridin-2-amine?
The InChIKey is HNISMMBOWOWMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-8-16-14-7-5-6-13(17-14)11-18-9-10-19-12-15(18,2)3/h5-7H,4,8-12H2,1-3H3,(H,16,17).
What are the key properties of 6-[(3,3-dimethylmorpholin-4-yl)methyl]-N-propylpyridin-2-amine?
6-[(3,3-dimethylmorpholin-4-yl)methyl]-N-propylpyridin-2-amine has a molecular weight of 263.38 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,3-dimethylmorpholin-4-yl)methyl]-N-propylpyridin-2-amine is sourced from PubChem (CID 79242954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).