3-(2,2,5,5-tetramethyloxolan-3-yl)pyridin-4-amine

C13H20N2O — CID 114624107

IUPAC3-(2,2,5,5-tetramethyloxolan-3-yl)pyridin-4-amine
SMILESCC1(C)CC(c2cnccc2N)C(C)(C)O1
InChIInChI=1S/C13H20N2O/c1-12(2)7-10(13(3,4)16-12)9-8-15-6-5-11(9)14/h5-6,8,10H,7H2,1-4H3,(H2,14,15)
InChIKeyDHQNQCOFVPPVLY-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.72
Rot. Bonds1

About 3-(2,2,5,5-tetramethyloxolan-3-yl)pyridin-4-amine

3-(2,2,5,5-tetramethyloxolan-3-yl)pyridin-4-amine (PubChem CID 114624107) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-(2,2,5,5-tetramethyloxolan-3-yl)pyridin-4-amine.

Molecular Properties

Compound Name3-(2,2,5,5-tetramethyloxolan-3-yl)pyridin-4-amine
PubChem CID114624107
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-(2,2,5,5-tetramethyloxolan-3-yl)pyridin-4-amine
SMILESCC1(C)CC(c2cnccc2N)C(C)(C)O1
InChIInChI=1S/C13H20N2O/c1-12(2)7-10(13(3,4)16-12)9-8-15-6-5-11(9)14/h5-6,8,10H,7H2,1-4H3,(H2,14,15)
InChIKeyDHQNQCOFVPPVLY-UHFFFAOYSA-N
XLogP2.72
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,5,5-tetramethyloxolan-3-yl)pyridin-4-amine?
The IUPAC name of 3-(2,2,5,5-tetramethyloxolan-3-yl)pyridin-4-amine (CID 114624107) is 3-(2,2,5,5-tetramethyloxolan-3-yl)pyridin-4-amine.
What is the SMILES notation for 3-(2,2,5,5-tetramethyloxolan-3-yl)pyridin-4-amine?
The canonical SMILES for 3-(2,2,5,5-tetramethyloxolan-3-yl)pyridin-4-amine is CC1(C)CC(c2cnccc2N)C(C)(C)O1.
What is the InChIKey of 3-(2,2,5,5-tetramethyloxolan-3-yl)pyridin-4-amine?
The InChIKey is DHQNQCOFVPPVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-12(2)7-10(13(3,4)16-12)9-8-15-6-5-11(9)14/h5-6,8,10H,7H2,1-4H3,(H2,14,15).
What are the key properties of 3-(2,2,5,5-tetramethyloxolan-3-yl)pyridin-4-amine?
3-(2,2,5,5-tetramethyloxolan-3-yl)pyridin-4-amine has a molecular weight of 220.32 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,5,5-tetramethyloxolan-3-yl)pyridin-4-amine is sourced from PubChem (CID 114624107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).