5-[[methyl(oxan-3-ylmethyl)amino]methyl]-N-propylpyridin-2-amine

C16H27N3O — CID 63711460

IUPAC5-[[methyl(oxan-3-ylmethyl)amino]methyl]-N-propylpyridin-2-amine
SMILESCCCNc1ccc(CN(C)CC2CCCOC2)cn1
InChIInChI=1S/C16H27N3O/c1-3-8-17-16-7-6-14(10-18-16)11-19(2)12-15-5-4-9-20-13-15/h6-7,10,15H,3-5,8-9,11-13H2,1-2H3,(H,17,18)
InChIKeyBGRHSZXZMZFJSE-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.76
Rot. Bonds7

About 5-[[methyl(oxan-3-ylmethyl)amino]methyl]-N-propylpyridin-2-amine

5-[[methyl(oxan-3-ylmethyl)amino]methyl]-N-propylpyridin-2-amine (PubChem CID 63711460) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 5-[[methyl(oxan-3-ylmethyl)amino]methyl]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name5-[[methyl(oxan-3-ylmethyl)amino]methyl]-N-propylpyridin-2-amine
PubChem CID63711460
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name5-[[methyl(oxan-3-ylmethyl)amino]methyl]-N-propylpyridin-2-amine
SMILESCCCNc1ccc(CN(C)CC2CCCOC2)cn1
InChIInChI=1S/C16H27N3O/c1-3-8-17-16-7-6-14(10-18-16)11-19(2)12-15-5-4-9-20-13-15/h6-7,10,15H,3-5,8-9,11-13H2,1-2H3,(H,17,18)
InChIKeyBGRHSZXZMZFJSE-UHFFFAOYSA-N
XLogP2.76
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[methyl(oxan-3-ylmethyl)amino]methyl]-N-propylpyridin-2-amine?
The IUPAC name of 5-[[methyl(oxan-3-ylmethyl)amino]methyl]-N-propylpyridin-2-amine (CID 63711460) is 5-[[methyl(oxan-3-ylmethyl)amino]methyl]-N-propylpyridin-2-amine.
What is the SMILES notation for 5-[[methyl(oxan-3-ylmethyl)amino]methyl]-N-propylpyridin-2-amine?
The canonical SMILES for 5-[[methyl(oxan-3-ylmethyl)amino]methyl]-N-propylpyridin-2-amine is CCCNc1ccc(CN(C)CC2CCCOC2)cn1.
What is the InChIKey of 5-[[methyl(oxan-3-ylmethyl)amino]methyl]-N-propylpyridin-2-amine?
The InChIKey is BGRHSZXZMZFJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-3-8-17-16-7-6-14(10-18-16)11-19(2)12-15-5-4-9-20-13-15/h6-7,10,15H,3-5,8-9,11-13H2,1-2H3,(H,17,18).
What are the key properties of 5-[[methyl(oxan-3-ylmethyl)amino]methyl]-N-propylpyridin-2-amine?
5-[[methyl(oxan-3-ylmethyl)amino]methyl]-N-propylpyridin-2-amine has a molecular weight of 277.41 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl(oxan-3-ylmethyl)amino]methyl]-N-propylpyridin-2-amine is sourced from PubChem (CID 63711460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).