N-[[1-(5-methylpyridazin-3-yl)piperidin-3-yl]methyl]ethanamine

C13H22N4 — CID 106550545

IUPACN-[[1-(5-methylpyridazin-3-yl)piperidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCCN(c2cc(C)cnn2)C1
InChIInChI=1S/C13H22N4/c1-3-14-9-12-5-4-6-17(10-12)13-7-11(2)8-15-16-13/h7-8,12,14H,3-6,9-10H2,1-2H3
InChIKeyXOHGYCRZNGINST-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.61
Rot. Bonds4

About N-[[1-(5-methylpyridazin-3-yl)piperidin-3-yl]methyl]ethanamine

N-[[1-(5-methylpyridazin-3-yl)piperidin-3-yl]methyl]ethanamine (PubChem CID 106550545) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-[[1-(5-methylpyridazin-3-yl)piperidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(5-methylpyridazin-3-yl)piperidin-3-yl]methyl]ethanamine
PubChem CID106550545
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN-[[1-(5-methylpyridazin-3-yl)piperidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCCN(c2cc(C)cnn2)C1
InChIInChI=1S/C13H22N4/c1-3-14-9-12-5-4-6-17(10-12)13-7-11(2)8-15-16-13/h7-8,12,14H,3-6,9-10H2,1-2H3
InChIKeyXOHGYCRZNGINST-UHFFFAOYSA-N
XLogP1.61
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[1-(5-methylpyridazin-3-yl)piperidin-3-yl]methyl]propan-1-amine
CID 106550557
N-[[1-(4-methyl-2-pyridinyl)piperidin-3-yl]methyl]ethanamine
CID 62592708
N-ethyl-1-(5-methylpyridazin-3-yl)piperidin-3-amine
CID 106549225
4-[3-(ethylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136989738
N-[[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methyl]ethanamine
CID 62592540
N-[[1-(6-propoxypyrimidin-4-yl)piperidin-3-yl]methyl]ethanamine
CID 66331580
N-[(1-pyridin-4-ylpiperidin-3-yl)methyl]ethanamine
CID 62592344
1-(5-methylpyridazin-3-yl)pyrrolidin-3-amine
CID 106550134
N-[[1-(1-methyltetrazol-5-yl)piperidin-3-yl]methyl]ethanamine
CID 63149812
N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methyl]ethanamine
CID 65272861
N-[[1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]methyl]ethanamine
CID 62592707
N-methyl-1-[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methanamine
CID 61204820

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-methylpyridazin-3-yl)piperidin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(5-methylpyridazin-3-yl)piperidin-3-yl]methyl]ethanamine (CID 106550545) is N-[[1-(5-methylpyridazin-3-yl)piperidin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(5-methylpyridazin-3-yl)piperidin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(5-methylpyridazin-3-yl)piperidin-3-yl]methyl]ethanamine is CCNCC1CCCN(c2cc(C)cnn2)C1.
What is the InChIKey of N-[[1-(5-methylpyridazin-3-yl)piperidin-3-yl]methyl]ethanamine?
The InChIKey is XOHGYCRZNGINST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-3-14-9-12-5-4-6-17(10-12)13-7-11(2)8-15-16-13/h7-8,12,14H,3-6,9-10H2,1-2H3.
What are the key properties of N-[[1-(5-methylpyridazin-3-yl)piperidin-3-yl]methyl]ethanamine?
N-[[1-(5-methylpyridazin-3-yl)piperidin-3-yl]methyl]ethanamine has a molecular weight of 234.35 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-methylpyridazin-3-yl)piperidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 106550545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).