2,2,5,5-tetramethyl-N-(1H-pyrazol-4-ylmethyl)oxolan-3-amine

C12H21N3O — CID 79927637

IUPAC2,2,5,5-tetramethyl-N-(1H-pyrazol-4-ylmethyl)oxolan-3-amine
SMILESCC1(C)CC(NCc2cn[nH]c2)C(C)(C)O1
InChIInChI=1S/C12H21N3O/c1-11(2)5-10(12(3,4)16-11)13-6-9-7-14-15-8-9/h7-8,10,13H,5-6H2,1-4H3,(H,14,15)
InChIKeyLNAAKCPMWZUVKC-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.85
Rot. Bonds3

About 2,2,5,5-tetramethyl-N-(1H-pyrazol-4-ylmethyl)oxolan-3-amine

2,2,5,5-tetramethyl-N-(1H-pyrazol-4-ylmethyl)oxolan-3-amine (PubChem CID 79927637) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-N-(1H-pyrazol-4-ylmethyl)oxolan-3-amine.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-N-(1H-pyrazol-4-ylmethyl)oxolan-3-amine
PubChem CID79927637
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2,2,5,5-tetramethyl-N-(1H-pyrazol-4-ylmethyl)oxolan-3-amine
SMILESCC1(C)CC(NCc2cn[nH]c2)C(C)(C)O1
InChIInChI=1S/C12H21N3O/c1-11(2)5-10(12(3,4)16-11)13-6-9-7-14-15-8-9/h7-8,10,13H,5-6H2,1-4H3,(H,14,15)
InChIKeyLNAAKCPMWZUVKC-UHFFFAOYSA-N
XLogP1.85
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-N-(1H-pyrazol-4-ylmethyl)oxolan-3-amine?
The IUPAC name of 2,2,5,5-tetramethyl-N-(1H-pyrazol-4-ylmethyl)oxolan-3-amine (CID 79927637) is 2,2,5,5-tetramethyl-N-(1H-pyrazol-4-ylmethyl)oxolan-3-amine.
What is the SMILES notation for 2,2,5,5-tetramethyl-N-(1H-pyrazol-4-ylmethyl)oxolan-3-amine?
The canonical SMILES for 2,2,5,5-tetramethyl-N-(1H-pyrazol-4-ylmethyl)oxolan-3-amine is CC1(C)CC(NCc2cn[nH]c2)C(C)(C)O1.
What is the InChIKey of 2,2,5,5-tetramethyl-N-(1H-pyrazol-4-ylmethyl)oxolan-3-amine?
The InChIKey is LNAAKCPMWZUVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-11(2)5-10(12(3,4)16-11)13-6-9-7-14-15-8-9/h7-8,10,13H,5-6H2,1-4H3,(H,14,15).
What are the key properties of 2,2,5,5-tetramethyl-N-(1H-pyrazol-4-ylmethyl)oxolan-3-amine?
2,2,5,5-tetramethyl-N-(1H-pyrazol-4-ylmethyl)oxolan-3-amine has a molecular weight of 223.32 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-N-(1H-pyrazol-4-ylmethyl)oxolan-3-amine is sourced from PubChem (CID 79927637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).