N-[oxan-4-yl(pyridazin-4-yl)methyl]propan-1-amine

C13H21N3O — CID 105147199

IUPACN-[oxan-4-yl(pyridazin-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccnnc1)C1CCOCC1
InChIInChI=1S/C13H21N3O/c1-2-6-14-13(11-4-8-17-9-5-11)12-3-7-15-16-10-12/h3,7,10-11,13-14H,2,4-6,8-9H2,1H3
InChIKeyPTKAVOHJASWMGY-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.94
Rot. Bonds5

About N-[oxan-4-yl(pyridazin-4-yl)methyl]propan-1-amine

N-[oxan-4-yl(pyridazin-4-yl)methyl]propan-1-amine (PubChem CID 105147199) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[oxan-4-yl(pyridazin-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[oxan-4-yl(pyridazin-4-yl)methyl]propan-1-amine
PubChem CID105147199
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-[oxan-4-yl(pyridazin-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccnnc1)C1CCOCC1
InChIInChI=1S/C13H21N3O/c1-2-6-14-13(11-4-8-17-9-5-11)12-3-7-15-16-10-12/h3,7,10-11,13-14H,2,4-6,8-9H2,1H3
InChIKeyPTKAVOHJASWMGY-UHFFFAOYSA-N
XLogP1.94
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[oxolan-3-yl(pyridin-3-yl)methyl]propan-1-amine
CID 63565500
N-[(3-ethylcyclohexyl)-pyridazin-4-ylmethyl]propan-1-amine
CID 105156132
N-[oxan-4-yl-(4-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 62906368
N-[oxan-4-yl(quinolin-3-yl)methyl]propan-1-amine
CID 65334716
N-[(2-ethylpyrazol-3-yl)-(oxan-4-yl)methyl]propan-1-amine
CID 65334450
N-[(3-bromo-4-methylphenyl)-(oxan-4-yl)methyl]propan-1-amine
CID 115856010
N-[(3-bromo-4-chlorophenyl)-(oxan-4-yl)methyl]propan-1-amine
CID 115567999
N-[(4-chloro-3-fluorophenyl)-(oxan-4-yl)methyl]propan-1-amine
CID 107993179
N-[(5-ethylfuran-2-yl)-(oxan-4-yl)methyl]propan-1-amine
CID 62906032
N-[(6-methyl-2-pyridinyl)-(oxan-4-yl)methyl]propan-1-amine
CID 63935693
N-[oxan-4-yl(quinolin-4-yl)methyl]propan-1-amine
CID 105147197
N-[(3-ethoxyphenyl)-(oxan-4-yl)methyl]propan-1-amine
CID 63935052

Frequently Asked Questions

What is the IUPAC name of N-[oxan-4-yl(pyridazin-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[oxan-4-yl(pyridazin-4-yl)methyl]propan-1-amine (CID 105147199) is N-[oxan-4-yl(pyridazin-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[oxan-4-yl(pyridazin-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[oxan-4-yl(pyridazin-4-yl)methyl]propan-1-amine is CCCNC(c1ccnnc1)C1CCOCC1.
What is the InChIKey of N-[oxan-4-yl(pyridazin-4-yl)methyl]propan-1-amine?
The InChIKey is PTKAVOHJASWMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-6-14-13(11-4-8-17-9-5-11)12-3-7-15-16-10-12/h3,7,10-11,13-14H,2,4-6,8-9H2,1H3.
What are the key properties of N-[oxan-4-yl(pyridazin-4-yl)methyl]propan-1-amine?
N-[oxan-4-yl(pyridazin-4-yl)methyl]propan-1-amine has a molecular weight of 235.33 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[oxan-4-yl(pyridazin-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 105147199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).