[3-(4,4-diethylpiperidin-1-yl)pyridazin-4-yl]methanamine

C14H24N4 — CID 80509117

IUPAC[3-(4,4-diethylpiperidin-1-yl)pyridazin-4-yl]methanamine
SMILESCCC1(CC)CCN(c2nnccc2CN)CC1
InChIInChI=1S/C14H24N4/c1-3-14(4-2)6-9-18(10-7-14)13-12(11-15)5-8-16-17-13/h5,8H,3-4,6-7,9-11,15H2,1-2H3
InChIKeyPALJTFPXMYAJOH-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.34
Rot. Bonds4

About [3-(4,4-diethylpiperidin-1-yl)pyridazin-4-yl]methanamine

[3-(4,4-diethylpiperidin-1-yl)pyridazin-4-yl]methanamine (PubChem CID 80509117) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is [3-(4,4-diethylpiperidin-1-yl)pyridazin-4-yl]methanamine.

Molecular Properties

Compound Name[3-(4,4-diethylpiperidin-1-yl)pyridazin-4-yl]methanamine
PubChem CID80509117
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name[3-(4,4-diethylpiperidin-1-yl)pyridazin-4-yl]methanamine
SMILESCCC1(CC)CCN(c2nnccc2CN)CC1
InChIInChI=1S/C14H24N4/c1-3-14(4-2)6-9-18(10-7-14)13-12(11-15)5-8-16-17-13/h5,8H,3-4,6-7,9-11,15H2,1-2H3
InChIKeyPALJTFPXMYAJOH-UHFFFAOYSA-N
XLogP2.34
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(4,4-diethylpiperidin-1-yl)pyridazin-4-yl]methanamine?
The IUPAC name of [3-(4,4-diethylpiperidin-1-yl)pyridazin-4-yl]methanamine (CID 80509117) is [3-(4,4-diethylpiperidin-1-yl)pyridazin-4-yl]methanamine.
What is the SMILES notation for [3-(4,4-diethylpiperidin-1-yl)pyridazin-4-yl]methanamine?
The canonical SMILES for [3-(4,4-diethylpiperidin-1-yl)pyridazin-4-yl]methanamine is CCC1(CC)CCN(c2nnccc2CN)CC1.
What is the InChIKey of [3-(4,4-diethylpiperidin-1-yl)pyridazin-4-yl]methanamine?
The InChIKey is PALJTFPXMYAJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-3-14(4-2)6-9-18(10-7-14)13-12(11-15)5-8-16-17-13/h5,8H,3-4,6-7,9-11,15H2,1-2H3.
What are the key properties of [3-(4,4-diethylpiperidin-1-yl)pyridazin-4-yl]methanamine?
[3-(4,4-diethylpiperidin-1-yl)pyridazin-4-yl]methanamine has a molecular weight of 248.37 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4,4-diethylpiperidin-1-yl)pyridazin-4-yl]methanamine is sourced from PubChem (CID 80509117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).