[2-tert-butyl-6-(2-methylimidazol-1-yl)-4-pyridinyl]methanamine

C14H20N4 — CID 113381504

IUPAC[2-tert-butyl-6-(2-methylimidazol-1-yl)-4-pyridinyl]methanamine
SMILESCc1nccn1-c1cc(CN)cc(C(C)(C)C)n1
InChIInChI=1S/C14H20N4/c1-10-16-5-6-18(10)13-8-11(9-15)7-12(17-13)14(2,3)4/h5-8H,9,15H2,1-4H3
InChIKeyLOWAOQLFSZMUSB-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.33
Rot. Bonds2

About [2-tert-butyl-6-(2-methylimidazol-1-yl)-4-pyridinyl]methanamine

[2-tert-butyl-6-(2-methylimidazol-1-yl)-4-pyridinyl]methanamine (PubChem CID 113381504) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is [2-tert-butyl-6-(2-methylimidazol-1-yl)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-tert-butyl-6-(2-methylimidazol-1-yl)-4-pyridinyl]methanamine
PubChem CID113381504
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name[2-tert-butyl-6-(2-methylimidazol-1-yl)-4-pyridinyl]methanamine
SMILESCc1nccn1-c1cc(CN)cc(C(C)(C)C)n1
InChIInChI=1S/C14H20N4/c1-10-16-5-6-18(10)13-8-11(9-15)7-12(17-13)14(2,3)4/h5-8H,9,15H2,1-4H3
InChIKeyLOWAOQLFSZMUSB-UHFFFAOYSA-N
XLogP2.33
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-tert-butyl-6-(2-methylimidazol-1-yl)-4-pyridinyl]methanamine?
The IUPAC name of [2-tert-butyl-6-(2-methylimidazol-1-yl)-4-pyridinyl]methanamine (CID 113381504) is [2-tert-butyl-6-(2-methylimidazol-1-yl)-4-pyridinyl]methanamine.
What is the SMILES notation for [2-tert-butyl-6-(2-methylimidazol-1-yl)-4-pyridinyl]methanamine?
The canonical SMILES for [2-tert-butyl-6-(2-methylimidazol-1-yl)-4-pyridinyl]methanamine is Cc1nccn1-c1cc(CN)cc(C(C)(C)C)n1.
What is the InChIKey of [2-tert-butyl-6-(2-methylimidazol-1-yl)-4-pyridinyl]methanamine?
The InChIKey is LOWAOQLFSZMUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-10-16-5-6-18(10)13-8-11(9-15)7-12(17-13)14(2,3)4/h5-8H,9,15H2,1-4H3.
What are the key properties of [2-tert-butyl-6-(2-methylimidazol-1-yl)-4-pyridinyl]methanamine?
[2-tert-butyl-6-(2-methylimidazol-1-yl)-4-pyridinyl]methanamine has a molecular weight of 244.34 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-tert-butyl-6-(2-methylimidazol-1-yl)-4-pyridinyl]methanamine is sourced from PubChem (CID 113381504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).