N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-1-(5-methylfuran-2-yl)ethanamine

C19H28N4O — CID 126917880

IUPACN-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-1-(5-methylfuran-2-yl)ethanamine
SMILESCc1ccc(C(C)NCC2CN(c3ccc(C(C)(C)C)nn3)C2)o1
InChIInChI=1S/C19H28N4O/c1-13-6-7-16(24-13)14(2)20-10-15-11-23(12-15)18-9-8-17(21-22-18)19(3,4)5/h6-9,14-15,20H,10-12H2,1-5H3
InChIKeyWUCWYCHPQUOITA-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.46
Rot. Bonds5

About N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-1-(5-methylfuran-2-yl)ethanamine

N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-1-(5-methylfuran-2-yl)ethanamine (PubChem CID 126917880) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-1-(5-methylfuran-2-yl)ethanamine.

Molecular Properties

Compound NameN-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-1-(5-methylfuran-2-yl)ethanamine
PubChem CID126917880
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC NameN-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-1-(5-methylfuran-2-yl)ethanamine
SMILESCc1ccc(C(C)NCC2CN(c3ccc(C(C)(C)C)nn3)C2)o1
InChIInChI=1S/C19H28N4O/c1-13-6-7-16(24-13)14(2)20-10-15-11-23(12-15)18-9-8-17(21-22-18)19(3,4)5/h6-9,14-15,20H,10-12H2,1-5H3
InChIKeyWUCWYCHPQUOITA-UHFFFAOYSA-N
XLogP3.46
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-1-(5-methylfuran-2-yl)ethanamine?
The IUPAC name of N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-1-(5-methylfuran-2-yl)ethanamine (CID 126917880) is N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-1-(5-methylfuran-2-yl)ethanamine.
What is the SMILES notation for N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-1-(5-methylfuran-2-yl)ethanamine?
The canonical SMILES for N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-1-(5-methylfuran-2-yl)ethanamine is Cc1ccc(C(C)NCC2CN(c3ccc(C(C)(C)C)nn3)C2)o1.
What is the InChIKey of N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-1-(5-methylfuran-2-yl)ethanamine?
The InChIKey is WUCWYCHPQUOITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-13-6-7-16(24-13)14(2)20-10-15-11-23(12-15)18-9-8-17(21-22-18)19(3,4)5/h6-9,14-15,20H,10-12H2,1-5H3.
What are the key properties of N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-1-(5-methylfuran-2-yl)ethanamine?
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-1-(5-methylfuran-2-yl)ethanamine has a molecular weight of 328.46 g/mol, XLogP of 3.46, 5 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]-1-(5-methylfuran-2-yl)ethanamine is sourced from PubChem (CID 126917880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).