6-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]pyridazin-3-amine

C19H26N4 — CID 70743488

IUPAC6-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]pyridazin-3-amine
SMILESCc1ccc(NC2CCCN(CCCc3ccccc3)C2)nn1
InChIInChI=1S/C19H26N4/c1-16-11-12-19(22-21-16)20-18-10-6-14-23(15-18)13-5-9-17-7-3-2-4-8-17/h2-4,7-8,11-12,18H,5-6,9-10,13-15H2,1H3,(H,20,22)
InChIKeyCBCLTBMMLAKPPZ-UHFFFAOYSA-N
MW310.45 g/mol
LogP3.29
Rot. Bonds6

About 6-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]pyridazin-3-amine

6-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]pyridazin-3-amine (PubChem CID 70743488) has the molecular formula C19H26N4 and a molecular weight of 310.45 g/mol. Its IUPAC name is 6-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]pyridazin-3-amine.

Molecular Properties

Compound Name6-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]pyridazin-3-amine
PubChem CID70743488
Molecular FormulaC19H26N4
Molecular Weight310.45 g/mol
Exact Mass310.22
IUPAC Name6-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]pyridazin-3-amine
SMILESCc1ccc(NC2CCCN(CCCc3ccccc3)C2)nn1
InChIInChI=1S/C19H26N4/c1-16-11-12-19(22-21-16)20-18-10-6-14-23(15-18)13-5-9-17-7-3-2-4-8-17/h2-4,7-8,11-12,18H,5-6,9-10,13-15H2,1H3,(H,20,22)
InChIKeyCBCLTBMMLAKPPZ-UHFFFAOYSA-N
XLogP3.29
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.45
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]pyridazin-3-amine?
The IUPAC name of 6-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]pyridazin-3-amine (CID 70743488) is 6-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]pyridazin-3-amine.
What is the SMILES notation for 6-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]pyridazin-3-amine?
The canonical SMILES for 6-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]pyridazin-3-amine is Cc1ccc(NC2CCCN(CCCc3ccccc3)C2)nn1.
What is the InChIKey of 6-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]pyridazin-3-amine?
The InChIKey is CBCLTBMMLAKPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c1-16-11-12-19(22-21-16)20-18-10-6-14-23(15-18)13-5-9-17-7-3-2-4-8-17/h2-4,7-8,11-12,18H,5-6,9-10,13-15H2,1H3,(H,20,22).
What are the key properties of 6-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]pyridazin-3-amine?
6-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]pyridazin-3-amine has a molecular weight of 310.45 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]pyridazin-3-amine is sourced from PubChem (CID 70743488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).