N-(2-piperidin-4-ylethyl)-6-propylpyridazin-3-amine

C14H24N4 — CID 116972215

IUPACN-(2-piperidin-4-ylethyl)-6-propylpyridazin-3-amine
SMILESCCCc1ccc(NCCC2CCNCC2)nn1
InChIInChI=1S/C14H24N4/c1-2-3-13-4-5-14(18-17-13)16-11-8-12-6-9-15-10-7-12/h4-5,12,15H,2-3,6-11H2,1H3,(H,16,18)
InChIKeyJLSPLHGOEXQZKB-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.23
Rot. Bonds6

About N-(2-piperidin-4-ylethyl)-6-propylpyridazin-3-amine

N-(2-piperidin-4-ylethyl)-6-propylpyridazin-3-amine (PubChem CID 116972215) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(2-piperidin-4-ylethyl)-6-propylpyridazin-3-amine.

Molecular Properties

Compound NameN-(2-piperidin-4-ylethyl)-6-propylpyridazin-3-amine
PubChem CID116972215
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC NameN-(2-piperidin-4-ylethyl)-6-propylpyridazin-3-amine
SMILESCCCc1ccc(NCCC2CCNCC2)nn1
InChIInChI=1S/C14H24N4/c1-2-3-13-4-5-14(18-17-13)16-11-8-12-6-9-15-10-7-12/h4-5,12,15H,2-3,6-11H2,1H3,(H,16,18)
InChIKeyJLSPLHGOEXQZKB-UHFFFAOYSA-N
XLogP2.23
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-4-ylethyl)-6-propylpyridazin-3-amine?
The IUPAC name of N-(2-piperidin-4-ylethyl)-6-propylpyridazin-3-amine (CID 116972215) is N-(2-piperidin-4-ylethyl)-6-propylpyridazin-3-amine.
What is the SMILES notation for N-(2-piperidin-4-ylethyl)-6-propylpyridazin-3-amine?
The canonical SMILES for N-(2-piperidin-4-ylethyl)-6-propylpyridazin-3-amine is CCCc1ccc(NCCC2CCNCC2)nn1.
What is the InChIKey of N-(2-piperidin-4-ylethyl)-6-propylpyridazin-3-amine?
The InChIKey is JLSPLHGOEXQZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-2-3-13-4-5-14(18-17-13)16-11-8-12-6-9-15-10-7-12/h4-5,12,15H,2-3,6-11H2,1H3,(H,16,18).
What are the key properties of N-(2-piperidin-4-ylethyl)-6-propylpyridazin-3-amine?
N-(2-piperidin-4-ylethyl)-6-propylpyridazin-3-amine has a molecular weight of 248.37 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-4-ylethyl)-6-propylpyridazin-3-amine is sourced from PubChem (CID 116972215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).