2-(2-amino-2-methylbutoxy)pyridine-4-carbonitrile

C11H15N3O — CID 64571714

IUPAC2-(2-amino-2-methylbutoxy)pyridine-4-carbonitrile
SMILESCCC(C)(N)COc1cc(C#N)ccn1
InChIInChI=1S/C11H15N3O/c1-3-11(2,13)8-15-10-6-9(7-12)4-5-14-10/h4-6H,3,8,13H2,1-2H3
InChIKeyHNUBVJALTLXPSQ-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.46
Rot. Bonds4

About 2-(2-amino-2-methylbutoxy)pyridine-4-carbonitrile

2-(2-amino-2-methylbutoxy)pyridine-4-carbonitrile (PubChem CID 64571714) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-(2-amino-2-methylbutoxy)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(2-amino-2-methylbutoxy)pyridine-4-carbonitrile
PubChem CID64571714
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name2-(2-amino-2-methylbutoxy)pyridine-4-carbonitrile
SMILESCCC(C)(N)COc1cc(C#N)ccn1
InChIInChI=1S/C11H15N3O/c1-3-11(2,13)8-15-10-6-9(7-12)4-5-14-10/h4-6H,3,8,13H2,1-2H3
InChIKeyHNUBVJALTLXPSQ-UHFFFAOYSA-N
XLogP1.46
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-methylbutoxy)pyridine-4-carbonitrile?
The IUPAC name of 2-(2-amino-2-methylbutoxy)pyridine-4-carbonitrile (CID 64571714) is 2-(2-amino-2-methylbutoxy)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(2-amino-2-methylbutoxy)pyridine-4-carbonitrile?
The canonical SMILES for 2-(2-amino-2-methylbutoxy)pyridine-4-carbonitrile is CCC(C)(N)COc1cc(C#N)ccn1.
What is the InChIKey of 2-(2-amino-2-methylbutoxy)pyridine-4-carbonitrile?
The InChIKey is HNUBVJALTLXPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-3-11(2,13)8-15-10-6-9(7-12)4-5-14-10/h4-6H,3,8,13H2,1-2H3.
What are the key properties of 2-(2-amino-2-methylbutoxy)pyridine-4-carbonitrile?
2-(2-amino-2-methylbutoxy)pyridine-4-carbonitrile has a molecular weight of 205.26 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-methylbutoxy)pyridine-4-carbonitrile is sourced from PubChem (CID 64571714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).