N-[1,4-oxathian-2-yl-(2-propylpyrazol-3-yl)methyl]propan-1-amine

C14H25N3OS — CID 79963660

IUPACN-[1,4-oxathian-2-yl-(2-propylpyrazol-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccnn1CCC)C1CSCCO1
InChIInChI=1S/C14H25N3OS/c1-3-6-15-14(13-11-19-10-9-18-13)12-5-7-16-17(12)8-4-2/h5,7,13-15H,3-4,6,8-11H2,1-2H3
InChIKeyZPAQFBKXYJSUOO-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.47
Rot. Bonds7

About N-[1,4-oxathian-2-yl-(2-propylpyrazol-3-yl)methyl]propan-1-amine

N-[1,4-oxathian-2-yl-(2-propylpyrazol-3-yl)methyl]propan-1-amine (PubChem CID 79963660) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is N-[1,4-oxathian-2-yl-(2-propylpyrazol-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[1,4-oxathian-2-yl-(2-propylpyrazol-3-yl)methyl]propan-1-amine
PubChem CID79963660
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC NameN-[1,4-oxathian-2-yl-(2-propylpyrazol-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccnn1CCC)C1CSCCO1
InChIInChI=1S/C14H25N3OS/c1-3-6-15-14(13-11-19-10-9-18-13)12-5-7-16-17(12)8-4-2/h5,7,13-15H,3-4,6,8-11H2,1-2H3
InChIKeyZPAQFBKXYJSUOO-UHFFFAOYSA-N
XLogP2.47
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1,4-oxathian-2-yl-(2-propylpyrazol-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[1,4-oxathian-2-yl-(2-propylpyrazol-3-yl)methyl]propan-1-amine (CID 79963660) is N-[1,4-oxathian-2-yl-(2-propylpyrazol-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[1,4-oxathian-2-yl-(2-propylpyrazol-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[1,4-oxathian-2-yl-(2-propylpyrazol-3-yl)methyl]propan-1-amine is CCCNC(c1ccnn1CCC)C1CSCCO1.
What is the InChIKey of N-[1,4-oxathian-2-yl-(2-propylpyrazol-3-yl)methyl]propan-1-amine?
The InChIKey is ZPAQFBKXYJSUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-3-6-15-14(13-11-19-10-9-18-13)12-5-7-16-17(12)8-4-2/h5,7,13-15H,3-4,6,8-11H2,1-2H3.
What are the key properties of N-[1,4-oxathian-2-yl-(2-propylpyrazol-3-yl)methyl]propan-1-amine?
N-[1,4-oxathian-2-yl-(2-propylpyrazol-3-yl)methyl]propan-1-amine has a molecular weight of 283.44 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,4-oxathian-2-yl-(2-propylpyrazol-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 79963660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).