2,2-diethyl-N-(2-pyrazol-1-ylethyl)oxan-4-amine

C14H25N3O — CID 83032997

IUPAC2,2-diethyl-N-(2-pyrazol-1-ylethyl)oxan-4-amine
SMILESCCC1(CC)CC(NCCn2cccn2)CCO1
InChIInChI=1S/C14H25N3O/c1-3-14(4-2)12-13(6-11-18-14)15-8-10-17-9-5-7-16-17/h5,7,9,13,15H,3-4,6,8,10-12H2,1-2H3
InChIKeyPUHLSTMUCXJAHF-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.21
Rot. Bonds6

About 2,2-diethyl-N-(2-pyrazol-1-ylethyl)oxan-4-amine

2,2-diethyl-N-(2-pyrazol-1-ylethyl)oxan-4-amine (PubChem CID 83032997) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2,2-diethyl-N-(2-pyrazol-1-ylethyl)oxan-4-amine.

Molecular Properties

Compound Name2,2-diethyl-N-(2-pyrazol-1-ylethyl)oxan-4-amine
PubChem CID83032997
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2,2-diethyl-N-(2-pyrazol-1-ylethyl)oxan-4-amine
SMILESCCC1(CC)CC(NCCn2cccn2)CCO1
InChIInChI=1S/C14H25N3O/c1-3-14(4-2)12-13(6-11-18-14)15-8-10-17-9-5-7-16-17/h5,7,9,13,15H,3-4,6,8,10-12H2,1-2H3
InChIKeyPUHLSTMUCXJAHF-UHFFFAOYSA-N
XLogP2.21
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N-(2-pyrazol-1-ylethyl)oxan-4-amine?
The IUPAC name of 2,2-diethyl-N-(2-pyrazol-1-ylethyl)oxan-4-amine (CID 83032997) is 2,2-diethyl-N-(2-pyrazol-1-ylethyl)oxan-4-amine.
What is the SMILES notation for 2,2-diethyl-N-(2-pyrazol-1-ylethyl)oxan-4-amine?
The canonical SMILES for 2,2-diethyl-N-(2-pyrazol-1-ylethyl)oxan-4-amine is CCC1(CC)CC(NCCn2cccn2)CCO1.
What is the InChIKey of 2,2-diethyl-N-(2-pyrazol-1-ylethyl)oxan-4-amine?
The InChIKey is PUHLSTMUCXJAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-3-14(4-2)12-13(6-11-18-14)15-8-10-17-9-5-7-16-17/h5,7,9,13,15H,3-4,6,8,10-12H2,1-2H3.
What are the key properties of 2,2-diethyl-N-(2-pyrazol-1-ylethyl)oxan-4-amine?
2,2-diethyl-N-(2-pyrazol-1-ylethyl)oxan-4-amine has a molecular weight of 251.37 g/mol, XLogP of 2.21, 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-pyrazol-1-ylethyl)oxan-4-amine is sourced from PubChem (CID 83032997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).