N-ethyl-3-methyl-1-(pyridazin-3-ylmethyl)piperidin-4-amine

C13H22N4 — CID 106896343

IUPACN-ethyl-3-methyl-1-(pyridazin-3-ylmethyl)piperidin-4-amine
SMILESCCNC1CCN(Cc2cccnn2)CC1C
InChIInChI=1S/C13H22N4/c1-3-14-13-6-8-17(9-11(13)2)10-12-5-4-7-15-16-12/h4-5,7,11,13-14H,3,6,8-10H2,1-2H3
InChIKeyAWKSNJRMFSSXKI-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.30
Rot. Bonds4

About N-ethyl-3-methyl-1-(pyridazin-3-ylmethyl)piperidin-4-amine

N-ethyl-3-methyl-1-(pyridazin-3-ylmethyl)piperidin-4-amine (PubChem CID 106896343) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-ethyl-3-methyl-1-(pyridazin-3-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-1-(pyridazin-3-ylmethyl)piperidin-4-amine
PubChem CID106896343
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN-ethyl-3-methyl-1-(pyridazin-3-ylmethyl)piperidin-4-amine
SMILESCCNC1CCN(Cc2cccnn2)CC1C
InChIInChI=1S/C13H22N4/c1-3-14-13-6-8-17(9-11(13)2)10-12-5-4-7-15-16-12/h4-5,7,11,13-14H,3,6,8-10H2,1-2H3
InChIKeyAWKSNJRMFSSXKI-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-1-(pyridazin-3-ylmethyl)piperidin-4-amine?
The IUPAC name of N-ethyl-3-methyl-1-(pyridazin-3-ylmethyl)piperidin-4-amine (CID 106896343) is N-ethyl-3-methyl-1-(pyridazin-3-ylmethyl)piperidin-4-amine.
What is the SMILES notation for N-ethyl-3-methyl-1-(pyridazin-3-ylmethyl)piperidin-4-amine?
The canonical SMILES for N-ethyl-3-methyl-1-(pyridazin-3-ylmethyl)piperidin-4-amine is CCNC1CCN(Cc2cccnn2)CC1C.
What is the InChIKey of N-ethyl-3-methyl-1-(pyridazin-3-ylmethyl)piperidin-4-amine?
The InChIKey is AWKSNJRMFSSXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-3-14-13-6-8-17(9-11(13)2)10-12-5-4-7-15-16-12/h4-5,7,11,13-14H,3,6,8-10H2,1-2H3.
What are the key properties of N-ethyl-3-methyl-1-(pyridazin-3-ylmethyl)piperidin-4-amine?
N-ethyl-3-methyl-1-(pyridazin-3-ylmethyl)piperidin-4-amine has a molecular weight of 234.35 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-1-(pyridazin-3-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 106896343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).