[3-(4,4-diethylpiperidin-1-yl)-5,6-dimethylpyridazin-4-yl]methanamine

C16H28N4 — CID 63156347

IUPAC[3-(4,4-diethylpiperidin-1-yl)-5,6-dimethylpyridazin-4-yl]methanamine
SMILESCCC1(CC)CCN(c2nnc(C)c(C)c2CN)CC1
InChIInChI=1S/C16H28N4/c1-5-16(6-2)7-9-20(10-8-16)15-14(11-17)12(3)13(4)18-19-15/h5-11,17H2,1-4H3
InChIKeyZRGCDZYGKXZFQE-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.96
Rot. Bonds4

About [3-(4,4-diethylpiperidin-1-yl)-5,6-dimethylpyridazin-4-yl]methanamine

[3-(4,4-diethylpiperidin-1-yl)-5,6-dimethylpyridazin-4-yl]methanamine (PubChem CID 63156347) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is [3-(4,4-diethylpiperidin-1-yl)-5,6-dimethylpyridazin-4-yl]methanamine.

Molecular Properties

Compound Name[3-(4,4-diethylpiperidin-1-yl)-5,6-dimethylpyridazin-4-yl]methanamine
PubChem CID63156347
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name[3-(4,4-diethylpiperidin-1-yl)-5,6-dimethylpyridazin-4-yl]methanamine
SMILESCCC1(CC)CCN(c2nnc(C)c(C)c2CN)CC1
InChIInChI=1S/C16H28N4/c1-5-16(6-2)7-9-20(10-8-16)15-14(11-17)12(3)13(4)18-19-15/h5-11,17H2,1-4H3
InChIKeyZRGCDZYGKXZFQE-UHFFFAOYSA-N
XLogP2.96
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.96
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)-5,6-dimethylpyridazin-4-yl]methanamine?
The IUPAC name of [3-(4,4-diethylpiperidin-1-yl)-5,6-dimethylpyridazin-4-yl]methanamine (CID 63156347) is [3-(4,4-diethylpiperidin-1-yl)-5,6-dimethylpyridazin-4-yl]methanamine.
What is the SMILES notation for [3-(4,4-diethylpiperidin-1-yl)-5,6-dimethylpyridazin-4-yl]methanamine?
The canonical SMILES for [3-(4,4-diethylpiperidin-1-yl)-5,6-dimethylpyridazin-4-yl]methanamine is CCC1(CC)CCN(c2nnc(C)c(C)c2CN)CC1.
What is the InChIKey of [3-(4,4-diethylpiperidin-1-yl)-5,6-dimethylpyridazin-4-yl]methanamine?
The InChIKey is ZRGCDZYGKXZFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-5-16(6-2)7-9-20(10-8-16)15-14(11-17)12(3)13(4)18-19-15/h5-11,17H2,1-4H3.
What are the key properties of [3-(4,4-diethylpiperidin-1-yl)-5,6-dimethylpyridazin-4-yl]methanamine?
[3-(4,4-diethylpiperidin-1-yl)-5,6-dimethylpyridazin-4-yl]methanamine has a molecular weight of 276.43 g/mol, XLogP of 2.96, 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)-5,6-dimethylpyridazin-4-yl]methanamine is sourced from PubChem (CID 63156347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).