1-(4-tert-butyl-2-pyridinyl)-2-methylpropan-2-amine

C13H22N2 — CID 130305406

IUPAC1-(4-tert-butyl-2-pyridinyl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1cc(C(C)(C)C)ccn1
InChIInChI=1S/C13H22N2/c1-12(2,3)10-6-7-15-11(8-10)9-13(4,5)14/h6-8H,9,14H2,1-5H3
InChIKeyAQEFLGOUWOPKLV-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.66
Rot. Bonds2

About 1-(4-tert-butyl-2-pyridinyl)-2-methylpropan-2-amine

1-(4-tert-butyl-2-pyridinyl)-2-methylpropan-2-amine (PubChem CID 130305406) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-(4-tert-butyl-2-pyridinyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(4-tert-butyl-2-pyridinyl)-2-methylpropan-2-amine
PubChem CID130305406
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name1-(4-tert-butyl-2-pyridinyl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1cc(C(C)(C)C)ccn1
InChIInChI=1S/C13H22N2/c1-12(2,3)10-6-7-15-11(8-10)9-13(4,5)14/h6-8H,9,14H2,1-5H3
InChIKeyAQEFLGOUWOPKLV-UHFFFAOYSA-N
XLogP2.66
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-tert-butyl-2-pyridinyl)-2-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-2-pyridinyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(4-tert-butyl-2-pyridinyl)-2-methylpropan-2-amine (CID 130305406) is 1-(4-tert-butyl-2-pyridinyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(4-tert-butyl-2-pyridinyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(4-tert-butyl-2-pyridinyl)-2-methylpropan-2-amine is CC(C)(N)Cc1cc(C(C)(C)C)ccn1.
What is the InChIKey of 1-(4-tert-butyl-2-pyridinyl)-2-methylpropan-2-amine?
The InChIKey is AQEFLGOUWOPKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-12(2,3)10-6-7-15-11(8-10)9-13(4,5)14/h6-8H,9,14H2,1-5H3.
What are the key properties of 1-(4-tert-butyl-2-pyridinyl)-2-methylpropan-2-amine?
1-(4-tert-butyl-2-pyridinyl)-2-methylpropan-2-amine has a molecular weight of 206.33 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-2-pyridinyl)-2-methylpropan-2-amine is sourced from PubChem (CID 130305406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).