1-(6-tert-butylpyridazin-3-yl)-N-methylpiperidin-3-amine

C14H24N4 — CID 116972417

IUPAC1-(6-tert-butylpyridazin-3-yl)-N-methylpiperidin-3-amine
SMILESCNC1CCCN(c2ccc(C(C)(C)C)nn2)C1
InChIInChI=1S/C14H24N4/c1-14(2,3)12-7-8-13(17-16-12)18-9-5-6-11(10-18)15-4/h7-8,11,15H,5-6,9-10H2,1-4H3
InChIKeyOZFHSIKKGPFBAA-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.96
Rot. Bonds2

About 1-(6-tert-butylpyridazin-3-yl)-N-methylpiperidin-3-amine

1-(6-tert-butylpyridazin-3-yl)-N-methylpiperidin-3-amine (PubChem CID 116972417) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(6-tert-butylpyridazin-3-yl)-N-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-(6-tert-butylpyridazin-3-yl)-N-methylpiperidin-3-amine
PubChem CID116972417
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name1-(6-tert-butylpyridazin-3-yl)-N-methylpiperidin-3-amine
SMILESCNC1CCCN(c2ccc(C(C)(C)C)nn2)C1
InChIInChI=1S/C14H24N4/c1-14(2,3)12-7-8-13(17-16-12)18-9-5-6-11(10-18)15-4/h7-8,11,15H,5-6,9-10H2,1-4H3
InChIKeyOZFHSIKKGPFBAA-UHFFFAOYSA-N
XLogP1.96
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(6-tert-butylpyridazin-3-yl)piperidin-3-ol
CID 134595598
1-(6-tert-butylpyridazin-3-yl)-N,N-dimethylpiperidin-3-amine
CID 134595806
2-(6-tert-butylpyridazin-3-yl)-N-methyl-2-azaspiro[3.3]heptan-6-amine
CID 134595633
1-(6-tert-butylpyridazin-3-yl)piperidin-4-amine
CID 116972368
3-tert-butyl-6-(4-piperidin-1-ylpiperidin-1-yl)pyridazine
CID 171691198
1-(6-cyclobutylpyridazin-3-yl)-N-methylpyrrolidin-3-amine
CID 116972984
N-[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]methanesulfonamide
CID 165434698
3-tert-butyl-6-(3,5-dimethylpiperidin-1-yl)pyridazine
CID 129258348
N-[1-(6-tert-butylpyridazin-3-yl)piperidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 175650502
N-methyl-1-(4-methyl-2-pyridinyl)piperidin-3-amine
CID 62547429
N-methyl-1-[5-(methylideneamino)-2-pyridinyl]piperidin-3-amine
CID 123938846
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(6-tert-butylpyridazin-3-yl)pyrrolidin-3-yl]methanone
CID 175648275

Frequently Asked Questions

What is the IUPAC name of 1-(6-tert-butylpyridazin-3-yl)-N-methylpiperidin-3-amine?
The IUPAC name of 1-(6-tert-butylpyridazin-3-yl)-N-methylpiperidin-3-amine (CID 116972417) is 1-(6-tert-butylpyridazin-3-yl)-N-methylpiperidin-3-amine.
What is the SMILES notation for 1-(6-tert-butylpyridazin-3-yl)-N-methylpiperidin-3-amine?
The canonical SMILES for 1-(6-tert-butylpyridazin-3-yl)-N-methylpiperidin-3-amine is CNC1CCCN(c2ccc(C(C)(C)C)nn2)C1.
What is the InChIKey of 1-(6-tert-butylpyridazin-3-yl)-N-methylpiperidin-3-amine?
The InChIKey is OZFHSIKKGPFBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-14(2,3)12-7-8-13(17-16-12)18-9-5-6-11(10-18)15-4/h7-8,11,15H,5-6,9-10H2,1-4H3.
What are the key properties of 1-(6-tert-butylpyridazin-3-yl)-N-methylpiperidin-3-amine?
1-(6-tert-butylpyridazin-3-yl)-N-methylpiperidin-3-amine has a molecular weight of 248.37 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-tert-butylpyridazin-3-yl)-N-methylpiperidin-3-amine is sourced from PubChem (CID 116972417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).