3-piperidin-1-yl-N-(pyridazin-4-ylmethyl)propan-1-amine

C13H22N4 — CID 113439259

IUPAC3-piperidin-1-yl-N-(pyridazin-4-ylmethyl)propan-1-amine
SMILESc1cc(CNCCCN2CCCCC2)cnn1
InChIInChI=1S/C13H22N4/c1-2-8-17(9-3-1)10-4-6-14-11-13-5-7-15-16-12-13/h5,7,12,14H,1-4,6,8-11H2
InChIKeyUTVTXFODJJIAJL-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.44
Rot. Bonds6

About 3-piperidin-1-yl-N-(pyridazin-4-ylmethyl)propan-1-amine

3-piperidin-1-yl-N-(pyridazin-4-ylmethyl)propan-1-amine (PubChem CID 113439259) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 3-piperidin-1-yl-N-(pyridazin-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-piperidin-1-yl-N-(pyridazin-4-ylmethyl)propan-1-amine
PubChem CID113439259
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name3-piperidin-1-yl-N-(pyridazin-4-ylmethyl)propan-1-amine
SMILESc1cc(CNCCCN2CCCCC2)cnn1
InChIInChI=1S/C13H22N4/c1-2-8-17(9-3-1)10-4-6-14-11-13-5-7-15-16-12-13/h5,7,12,14H,1-4,6,8-11H2
InChIKeyUTVTXFODJJIAJL-UHFFFAOYSA-N
XLogP1.44
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-pyrrolidin-1-yl-N-[[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899287
3-piperidin-1-yl-N-(1H-pyrrol-3-ylmethyl)propan-1-amine
CID 66409579
N-[(4-chlorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657714
N-[(4-fluorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657718
N-(1,2-oxazol-4-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 62989600
3-pyrrolidin-1-yl-N-[(4-trimethylsilylphenyl)methyl]propan-1-amine
CID 103437796
N-[(2-methoxy-4-pyridinyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 55140934
N-benzyl-6-piperidin-1-ylhexan-1-amine
CID 54404338
3-piperidin-1-yl-N-(1H-pyrazol-5-ylmethyl)propan-1-amine
CID 43662417
3-piperidin-1-yl-N-(pyridin-2-ylmethyl)propan-1-amine
CID 28657609
3-(4-methylpiperazin-1-yl)-N-[[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899289
N-(1,2-oxazol-5-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 103605761

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-yl-N-(pyridazin-4-ylmethyl)propan-1-amine?
The IUPAC name of 3-piperidin-1-yl-N-(pyridazin-4-ylmethyl)propan-1-amine (CID 113439259) is 3-piperidin-1-yl-N-(pyridazin-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-piperidin-1-yl-N-(pyridazin-4-ylmethyl)propan-1-amine?
The canonical SMILES for 3-piperidin-1-yl-N-(pyridazin-4-ylmethyl)propan-1-amine is c1cc(CNCCCN2CCCCC2)cnn1.
What is the InChIKey of 3-piperidin-1-yl-N-(pyridazin-4-ylmethyl)propan-1-amine?
The InChIKey is UTVTXFODJJIAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-2-8-17(9-3-1)10-4-6-14-11-13-5-7-15-16-12-13/h5,7,12,14H,1-4,6,8-11H2.
What are the key properties of 3-piperidin-1-yl-N-(pyridazin-4-ylmethyl)propan-1-amine?
3-piperidin-1-yl-N-(pyridazin-4-ylmethyl)propan-1-amine has a molecular weight of 234.35 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-yl-N-(pyridazin-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 113439259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).