5-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]-N-propylpyridin-2-amine

C16H28N4 — CID 62546994

IUPAC5-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]-N-propylpyridin-2-amine
SMILESCCCNc1ccc(CN(C)C2CCCN(C)C2)cn1
InChIInChI=1S/C16H28N4/c1-4-9-17-16-8-7-14(11-18-16)12-20(3)15-6-5-10-19(2)13-15/h7-8,11,15H,4-6,9-10,12-13H2,1-3H3,(H,17,18)
InChIKeyZYBADPNEHJKCBJ-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.43
Rot. Bonds6

About 5-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]-N-propylpyridin-2-amine

5-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]-N-propylpyridin-2-amine (PubChem CID 62546994) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 5-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name5-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]-N-propylpyridin-2-amine
PubChem CID62546994
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name5-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]-N-propylpyridin-2-amine
SMILESCCCNc1ccc(CN(C)C2CCCN(C)C2)cn1
InChIInChI=1S/C16H28N4/c1-4-9-17-16-8-7-14(11-18-16)12-20(3)15-6-5-10-19(2)13-15/h7-8,11,15H,4-6,9-10,12-13H2,1-3H3,(H,17,18)
InChIKeyZYBADPNEHJKCBJ-UHFFFAOYSA-N
XLogP2.43
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]-N-propylpyridin-2-amine?
The IUPAC name of 5-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]-N-propylpyridin-2-amine (CID 62546994) is 5-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]-N-propylpyridin-2-amine.
What is the SMILES notation for 5-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]-N-propylpyridin-2-amine?
The canonical SMILES for 5-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]-N-propylpyridin-2-amine is CCCNc1ccc(CN(C)C2CCCN(C)C2)cn1.
What is the InChIKey of 5-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]-N-propylpyridin-2-amine?
The InChIKey is ZYBADPNEHJKCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-4-9-17-16-8-7-14(11-18-16)12-20(3)15-6-5-10-19(2)13-15/h7-8,11,15H,4-6,9-10,12-13H2,1-3H3,(H,17,18).
What are the key properties of 5-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]-N-propylpyridin-2-amine?
5-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]-N-propylpyridin-2-amine has a molecular weight of 276.43 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]-N-propylpyridin-2-amine is sourced from PubChem (CID 62546994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).