N-[1-(2-methylpyrazol-3-yl)ethyl]oxan-3-amine

C11H19N3O — CID 106757805

IUPACN-[1-(2-methylpyrazol-3-yl)ethyl]oxan-3-amine
SMILESCC(NC1CCCOC1)c1ccnn1C
InChIInChI=1S/C11H19N3O/c1-9(11-5-6-12-14(11)2)13-10-4-3-7-15-8-10/h5-6,9-10,13H,3-4,7-8H2,1-2H3
InChIKeyZTKIZSZFIOPJFH-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.25
Rot. Bonds3

About N-[1-(2-methylpyrazol-3-yl)ethyl]oxan-3-amine

N-[1-(2-methylpyrazol-3-yl)ethyl]oxan-3-amine (PubChem CID 106757805) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-[1-(2-methylpyrazol-3-yl)ethyl]oxan-3-amine.

Molecular Properties

Compound NameN-[1-(2-methylpyrazol-3-yl)ethyl]oxan-3-amine
PubChem CID106757805
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-[1-(2-methylpyrazol-3-yl)ethyl]oxan-3-amine
SMILESCC(NC1CCCOC1)c1ccnn1C
InChIInChI=1S/C11H19N3O/c1-9(11-5-6-12-14(11)2)13-10-4-3-7-15-8-10/h5-6,9-10,13H,3-4,7-8H2,1-2H3
InChIKeyZTKIZSZFIOPJFH-UHFFFAOYSA-N
XLogP1.25
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-methylpyrazol-3-yl)ethyl]oxan-4-amine
CID 106757083
N-[1-(1H-pyrazol-5-yl)ethyl]oxan-3-amine
CID 63360313
1-tert-butyl-N-[1-(2-methylpyrazol-3-yl)ethyl]piperidin-4-amine
CID 106757617
4-ethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
CID 106757689
N-[1-(3,5-dimethylphenyl)ethyl]oxan-3-amine
CID 81345202
(3R)-N-[1-(furan-3-yl)ethyl]oxan-3-amine
CID 131084239
1-cyclopropyl-N-[1-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-3-amine
CID 106757719
N-[(1S)-1-(furan-2-yl)ethyl]oxan-3-amine
CID 81402561
1-cyclohexyl-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 106757760
N-[1-(2,6-difluorophenyl)ethyl]oxan-3-amine
CID 63360319
N-[1-(4-methylsulfanylphenyl)ethyl]oxan-3-amine
CID 63360226
N-(1,4-dioxan-2-ylmethyl)-1-(2-methylpyrazol-3-yl)ethanamine
CID 106757647

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylpyrazol-3-yl)ethyl]oxan-3-amine?
The IUPAC name of N-[1-(2-methylpyrazol-3-yl)ethyl]oxan-3-amine (CID 106757805) is N-[1-(2-methylpyrazol-3-yl)ethyl]oxan-3-amine.
What is the SMILES notation for N-[1-(2-methylpyrazol-3-yl)ethyl]oxan-3-amine?
The canonical SMILES for N-[1-(2-methylpyrazol-3-yl)ethyl]oxan-3-amine is CC(NC1CCCOC1)c1ccnn1C.
What is the InChIKey of N-[1-(2-methylpyrazol-3-yl)ethyl]oxan-3-amine?
The InChIKey is ZTKIZSZFIOPJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9(11-5-6-12-14(11)2)13-10-4-3-7-15-8-10/h5-6,9-10,13H,3-4,7-8H2,1-2H3.
What are the key properties of N-[1-(2-methylpyrazol-3-yl)ethyl]oxan-3-amine?
N-[1-(2-methylpyrazol-3-yl)ethyl]oxan-3-amine has a molecular weight of 209.29 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpyrazol-3-yl)ethyl]oxan-3-amine is sourced from PubChem (CID 106757805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).