N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine

C15H25N3O — CID 64771225

IUPACN-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
SMILESCNC(Cc1ccn(C(C)C)n1)C1CC2CCC1O2
InChIInChI=1S/C15H25N3O/c1-10(2)18-7-6-11(17-18)8-14(16-3)13-9-12-4-5-15(13)19-12/h6-7,10,12-16H,4-5,8-9H2,1-3H3
InChIKeyAQORTLLGNUPROH-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.16
Rot. Bonds5

About N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine

N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine (PubChem CID 64771225) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
PubChem CID64771225
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
SMILESCNC(Cc1ccn(C(C)C)n1)C1CC2CCC1O2
InChIInChI=1S/C15H25N3O/c1-10(2)18-7-6-11(17-18)8-14(16-3)13-9-12-4-5-15(13)19-12/h6-7,10,12-16H,4-5,8-9H2,1-3H3
InChIKeyAQORTLLGNUPROH-UHFFFAOYSA-N
XLogP2.16
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
The IUPAC name of N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine (CID 64771225) is N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine.
What is the SMILES notation for N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
The canonical SMILES for N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine is CNC(Cc1ccn(C(C)C)n1)C1CC2CCC1O2.
What is the InChIKey of N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
The InChIKey is AQORTLLGNUPROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-10(2)18-7-6-11(17-18)8-14(16-3)13-9-12-4-5-15(13)19-12/h6-7,10,12-16H,4-5,8-9H2,1-3H3.
What are the key properties of N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine has a molecular weight of 263.38 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 64771225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).