3-[[methyl(oxan-4-yl)amino]methyl]-N-propylpyridin-2-amine

C15H25N3O — CID 62471186

IUPAC3-[[methyl(oxan-4-yl)amino]methyl]-N-propylpyridin-2-amine
SMILESCCCNc1ncccc1CN(C)C1CCOCC1
InChIInChI=1S/C15H25N3O/c1-3-8-16-15-13(5-4-9-17-15)12-18(2)14-6-10-19-11-7-14/h4-5,9,14H,3,6-8,10-12H2,1-2H3,(H,16,17)
InChIKeyQUPTWCYMRWQYHD-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.51
Rot. Bonds6

About 3-[[methyl(oxan-4-yl)amino]methyl]-N-propylpyridin-2-amine

3-[[methyl(oxan-4-yl)amino]methyl]-N-propylpyridin-2-amine (PubChem CID 62471186) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-[[methyl(oxan-4-yl)amino]methyl]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name3-[[methyl(oxan-4-yl)amino]methyl]-N-propylpyridin-2-amine
PubChem CID62471186
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name3-[[methyl(oxan-4-yl)amino]methyl]-N-propylpyridin-2-amine
SMILESCCCNc1ncccc1CN(C)C1CCOCC1
InChIInChI=1S/C15H25N3O/c1-3-8-16-15-13(5-4-9-17-15)12-18(2)14-6-10-19-11-7-14/h4-5,9,14H,3,6-8,10-12H2,1-2H3,(H,16,17)
InChIKeyQUPTWCYMRWQYHD-UHFFFAOYSA-N
XLogP2.51
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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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Related Compounds

3-[[methyl-(2-methylcyclohexyl)amino]methyl]-N-propylpyridin-2-amine
CID 62464664
2-[methyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]cyclohexan-1-ol
CID 102636827
3-[[methyl(oxan-2-ylmethyl)amino]methyl]-N-propylpyridin-2-amine
CID 62469581
3-[[cyclohexyl(ethyl)amino]methyl]-N-propylpyridin-2-amine
CID 62469637
3-[[1-cyclopropylethyl(methyl)amino]methyl]-N-propylpyridin-2-amine
CID 62472252
N-ethyl-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]pyridin-2-amine
CID 55075358
2-[cyclobutyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]ethanol
CID 102870532
3-[[methyl(2-methylbutan-2-yl)amino]methyl]-N-propylpyridin-2-amine
CID 63965599
3-[[methyl(oxan-4-yl)amino]methyl]pyridine-2-carboxylic acid
CID 63069334
3-[[cyclobutylmethyl(ethyl)amino]methyl]-N-propylpyridin-2-amine
CID 107401430
3-[cyclobutyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]propan-1-ol
CID 102870493
3-[[ethyl(propyl)amino]methyl]-N-propylpyridin-2-amine
CID 62471154

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(oxan-4-yl)amino]methyl]-N-propylpyridin-2-amine?
The IUPAC name of 3-[[methyl(oxan-4-yl)amino]methyl]-N-propylpyridin-2-amine (CID 62471186) is 3-[[methyl(oxan-4-yl)amino]methyl]-N-propylpyridin-2-amine.
What is the SMILES notation for 3-[[methyl(oxan-4-yl)amino]methyl]-N-propylpyridin-2-amine?
The canonical SMILES for 3-[[methyl(oxan-4-yl)amino]methyl]-N-propylpyridin-2-amine is CCCNc1ncccc1CN(C)C1CCOCC1.
What is the InChIKey of 3-[[methyl(oxan-4-yl)amino]methyl]-N-propylpyridin-2-amine?
The InChIKey is QUPTWCYMRWQYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-8-16-15-13(5-4-9-17-15)12-18(2)14-6-10-19-11-7-14/h4-5,9,14H,3,6-8,10-12H2,1-2H3,(H,16,17).
What are the key properties of 3-[[methyl(oxan-4-yl)amino]methyl]-N-propylpyridin-2-amine?
3-[[methyl(oxan-4-yl)amino]methyl]-N-propylpyridin-2-amine has a molecular weight of 263.38 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(oxan-4-yl)amino]methyl]-N-propylpyridin-2-amine is sourced from PubChem (CID 62471186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).