5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridin-2-amine

C12H18N2O2 — CID 21081694

IUPAC5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridin-2-amine
SMILESCC1(C)OC(c2ccc(N)nc2)OC1(C)C
InChIInChI=1S/C12H18N2O2/c1-11(2)12(3,4)16-10(15-11)8-5-6-9(13)14-7-8/h5-7,10H,1-4H3,(H2,13,14)
InChIKeyAQKVSBCGAPEJEW-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.27
Rot. Bonds1

About 5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridin-2-amine

5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridin-2-amine (PubChem CID 21081694) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridin-2-amine
PubChem CID21081694
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridin-2-amine
SMILESCC1(C)OC(c2ccc(N)nc2)OC1(C)C
InChIInChI=1S/C12H18N2O2/c1-11(2)12(3,4)16-10(15-11)8-5-6-9(13)14-7-8/h5-7,10H,1-4H3,(H2,13,14)
InChIKeyAQKVSBCGAPEJEW-UHFFFAOYSA-N
XLogP2.27
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridin-2-amine?
The IUPAC name of 5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridin-2-amine (CID 21081694) is 5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridin-2-amine.
What is the SMILES notation for 5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridin-2-amine?
The canonical SMILES for 5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridin-2-amine is CC1(C)OC(c2ccc(N)nc2)OC1(C)C.
What is the InChIKey of 5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridin-2-amine?
The InChIKey is AQKVSBCGAPEJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-11(2)12(3,4)16-10(15-11)8-5-6-9(13)14-7-8/h5-7,10H,1-4H3,(H2,13,14).
What are the key properties of 5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridin-2-amine?
5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridin-2-amine has a molecular weight of 222.29 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridin-2-amine is sourced from PubChem (CID 21081694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).