2,2-diethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine

C15H27N3O — CID 103001948

IUPAC2,2-diethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine
SMILESCCC1(CC)CC(NCCc2cnn(C)c2)CCO1
InChIInChI=1S/C15H27N3O/c1-4-15(5-2)10-14(7-9-19-15)16-8-6-13-11-17-18(3)12-13/h11-12,14,16H,4-10H2,1-3H3
InChIKeyMHZINNHYVXQZNZ-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.29
Rot. Bonds6

About 2,2-diethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine

2,2-diethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine (PubChem CID 103001948) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2,2-diethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine.

Molecular Properties

Compound Name2,2-diethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine
PubChem CID103001948
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2,2-diethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine
SMILESCCC1(CC)CC(NCCc2cnn(C)c2)CCO1
InChIInChI=1S/C15H27N3O/c1-4-15(5-2)10-14(7-9-19-15)16-8-6-13-11-17-18(3)12-13/h11-12,14,16H,4-10H2,1-3H3
InChIKeyMHZINNHYVXQZNZ-UHFFFAOYSA-N
XLogP2.29
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-methylpyrazol-4-yl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 80689155
2,2-diethyl-N-[2-(1-methylimidazol-2-yl)ethyl]oxan-4-amine
CID 114527733
N-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentanamine
CID 112730166
N-[2-(1-methylpyrazol-4-yl)ethyl]thiolan-3-amine
CID 80682977
2,2-diethyl-N-(2-pyrazol-1-ylethyl)oxan-4-amine
CID 83032997
2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine
CID 80682729
N-[2-(1-methylpyrazol-4-yl)ethyl]oxetan-3-amine
CID 80683078
3,3,5-trimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine
CID 112730162
2,2-diethyl-N-[(2-propylpyrazol-3-yl)methyl]oxan-4-amine
CID 114556046
N-(2-cyclohexylethyl)-2,2-diethyloxan-4-amine
CID 83033801
3-(3-fluorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclobutan-1-amine
CID 80682298
2,2-dicyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 103001567

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine?
The IUPAC name of 2,2-diethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine (CID 103001948) is 2,2-diethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine.
What is the SMILES notation for 2,2-diethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine?
The canonical SMILES for 2,2-diethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine is CCC1(CC)CC(NCCc2cnn(C)c2)CCO1.
What is the InChIKey of 2,2-diethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine?
The InChIKey is MHZINNHYVXQZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-4-15(5-2)10-14(7-9-19-15)16-8-6-13-11-17-18(3)12-13/h11-12,14,16H,4-10H2,1-3H3.
What are the key properties of 2,2-diethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine?
2,2-diethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine has a molecular weight of 265.40 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine is sourced from PubChem (CID 103001948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).