N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine

C20H33N5 — CID 126917981

IUPACN-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN1C2CCC1CC(NCC1CN(c3ccc(C(C)(C)C)nn3)C1)C2
InChIInChI=1S/C20H33N5/c1-20(2,3)18-7-8-19(23-22-18)25-12-14(13-25)11-21-15-9-16-5-6-17(10-15)24(16)4/h7-8,14-17,21H,5-6,9-13H2,1-4H3
InChIKeyXKBJAHUAHFUHJA-UHFFFAOYSA-N
MW343.52 g/mol
LogP2.43
Rot. Bonds4

About N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine

N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 126917981) has the molecular formula C20H33N5 and a molecular weight of 343.52 g/mol. Its IUPAC name is N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID126917981
Molecular FormulaC20H33N5
Molecular Weight343.52 g/mol
Exact Mass343.27
IUPAC NameN-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN1C2CCC1CC(NCC1CN(c3ccc(C(C)(C)C)nn3)C1)C2
InChIInChI=1S/C20H33N5/c1-20(2,3)18-7-8-19(23-22-18)25-12-14(13-25)11-21-15-9-16-5-6-17(10-15)24(16)4/h7-8,14-17,21H,5-6,9-13H2,1-4H3
InChIKeyXKBJAHUAHFUHJA-UHFFFAOYSA-N
XLogP2.43
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.52
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 126917880
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-3-cyclopropylpyrazin-2-amine
CID 126917924
1-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-3-(oxan-4-yl)urea
CID 126917727
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]pyrazin-2-amine
CID 126917801
3-tert-butyl-6-(3,5-dimethylpiperidin-1-yl)pyridazine
CID 129258348
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-4,5-dimethyl-1,3-thiazol-2-amine
CID 126917974
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126917817
N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]cyclobutanamine
CID 126916780
N-[(5-bromofuran-2-yl)methyl]-1-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methanamine
CID 126917866
1-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 126917911
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 126917753
6-N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 126917843

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (CID 126917981) is N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine is CN1C2CCC1CC(NCC1CN(c3ccc(C(C)(C)C)nn3)C1)C2.
What is the InChIKey of N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is XKBJAHUAHFUHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5/c1-20(2,3)18-7-8-19(23-22-18)25-12-14(13-25)11-21-15-9-16-5-6-17(10-15)24(16)4/h7-8,14-17,21H,5-6,9-13H2,1-4H3.
What are the key properties of N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 343.52 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 126917981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).