N-[[6-(3-propoxypiperidin-1-yl)pyridazin-3-yl]methyl]propan-2-amine

C16H28N4O — CID 62288559

IUPACN-[[6-(3-propoxypiperidin-1-yl)pyridazin-3-yl]methyl]propan-2-amine
SMILESCCCOC1CCCN(c2ccc(CNC(C)C)nn2)C1
InChIInChI=1S/C16H28N4O/c1-4-10-21-15-6-5-9-20(12-15)16-8-7-14(18-19-16)11-17-13(2)3/h7-8,13,15,17H,4-6,9-12H2,1-3H3
InChIKeyGWMKQHTYGSKCCJ-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.37
Rot. Bonds7

About N-[[6-(3-propoxypiperidin-1-yl)pyridazin-3-yl]methyl]propan-2-amine

N-[[6-(3-propoxypiperidin-1-yl)pyridazin-3-yl]methyl]propan-2-amine (PubChem CID 62288559) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N-[[6-(3-propoxypiperidin-1-yl)pyridazin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-(3-propoxypiperidin-1-yl)pyridazin-3-yl]methyl]propan-2-amine
PubChem CID62288559
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN-[[6-(3-propoxypiperidin-1-yl)pyridazin-3-yl]methyl]propan-2-amine
SMILESCCCOC1CCCN(c2ccc(CNC(C)C)nn2)C1
InChIInChI=1S/C16H28N4O/c1-4-10-21-15-6-5-9-20(12-15)16-8-7-14(18-19-16)11-17-13(2)3/h7-8,13,15,17H,4-6,9-12H2,1-3H3
InChIKeyGWMKQHTYGSKCCJ-UHFFFAOYSA-N
XLogP2.37
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-(3-propoxypiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 62288558
3-chloro-6-(3-propoxypiperidin-1-yl)pyridazine
CID 54989826
N-[[6-(3-ethoxypiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 62287676
N-[[6-(3-methoxypiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 102967726
N-[[6-(3-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 62287146
N-methyl-1-[6-(3-propoxypiperidin-1-yl)pyrazin-2-yl]methanamine
CID 66451853
N-[[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridazin-3-yl]methyl]propan-2-amine
CID 104960875
N-[(6-morpholin-4-ylpyridazin-3-yl)methyl]propan-2-amine
CID 62284394
N-[[5-[(3-propoxypiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 62411193
2-propan-2-yl-6-(3-propoxypiperidin-1-yl)pyrimidin-4-amine
CID 80961896
N-[[2-(3-propoxypiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 62287493
N-methyl-6-(3-propoxypiperidin-1-yl)pyrimidin-4-amine
CID 80806713

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-propoxypiperidin-1-yl)pyridazin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[6-(3-propoxypiperidin-1-yl)pyridazin-3-yl]methyl]propan-2-amine (CID 62288559) is N-[[6-(3-propoxypiperidin-1-yl)pyridazin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-(3-propoxypiperidin-1-yl)pyridazin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-(3-propoxypiperidin-1-yl)pyridazin-3-yl]methyl]propan-2-amine is CCCOC1CCCN(c2ccc(CNC(C)C)nn2)C1.
What is the InChIKey of N-[[6-(3-propoxypiperidin-1-yl)pyridazin-3-yl]methyl]propan-2-amine?
The InChIKey is GWMKQHTYGSKCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-4-10-21-15-6-5-9-20(12-15)16-8-7-14(18-19-16)11-17-13(2)3/h7-8,13,15,17H,4-6,9-12H2,1-3H3.
What are the key properties of N-[[6-(3-propoxypiperidin-1-yl)pyridazin-3-yl]methyl]propan-2-amine?
N-[[6-(3-propoxypiperidin-1-yl)pyridazin-3-yl]methyl]propan-2-amine has a molecular weight of 292.43 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3-propoxypiperidin-1-yl)pyridazin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62288559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).