6-[[methyl(oxolan-3-yl)amino]methyl]-N-propylpyridin-2-amine

C14H23N3O — CID 82743830

IUPAC6-[[methyl(oxolan-3-yl)amino]methyl]-N-propylpyridin-2-amine
SMILESCCCNc1cccc(CN(C)C2CCOC2)n1
InChIInChI=1S/C14H23N3O/c1-3-8-15-14-6-4-5-12(16-14)10-17(2)13-7-9-18-11-13/h4-6,13H,3,7-11H2,1-2H3,(H,15,16)
InChIKeyGLQSBHJKGAIOTM-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.12
Rot. Bonds6

About 6-[[methyl(oxolan-3-yl)amino]methyl]-N-propylpyridin-2-amine

6-[[methyl(oxolan-3-yl)amino]methyl]-N-propylpyridin-2-amine (PubChem CID 82743830) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 6-[[methyl(oxolan-3-yl)amino]methyl]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name6-[[methyl(oxolan-3-yl)amino]methyl]-N-propylpyridin-2-amine
PubChem CID82743830
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name6-[[methyl(oxolan-3-yl)amino]methyl]-N-propylpyridin-2-amine
SMILESCCCNc1cccc(CN(C)C2CCOC2)n1
InChIInChI=1S/C14H23N3O/c1-3-8-15-14-6-4-5-12(16-14)10-17(2)13-7-9-18-11-13/h4-6,13H,3,7-11H2,1-2H3,(H,15,16)
InChIKeyGLQSBHJKGAIOTM-UHFFFAOYSA-N
XLogP2.12
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[methyl(oxolan-3-yl)amino]methyl]-N-propylpyridin-2-amine?
The IUPAC name of 6-[[methyl(oxolan-3-yl)amino]methyl]-N-propylpyridin-2-amine (CID 82743830) is 6-[[methyl(oxolan-3-yl)amino]methyl]-N-propylpyridin-2-amine.
What is the SMILES notation for 6-[[methyl(oxolan-3-yl)amino]methyl]-N-propylpyridin-2-amine?
The canonical SMILES for 6-[[methyl(oxolan-3-yl)amino]methyl]-N-propylpyridin-2-amine is CCCNc1cccc(CN(C)C2CCOC2)n1.
What is the InChIKey of 6-[[methyl(oxolan-3-yl)amino]methyl]-N-propylpyridin-2-amine?
The InChIKey is GLQSBHJKGAIOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-8-15-14-6-4-5-12(16-14)10-17(2)13-7-9-18-11-13/h4-6,13H,3,7-11H2,1-2H3,(H,15,16).
What are the key properties of 6-[[methyl(oxolan-3-yl)amino]methyl]-N-propylpyridin-2-amine?
6-[[methyl(oxolan-3-yl)amino]methyl]-N-propylpyridin-2-amine has a molecular weight of 249.36 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[methyl(oxolan-3-yl)amino]methyl]-N-propylpyridin-2-amine is sourced from PubChem (CID 82743830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).